Geometry & MOs

Info

ID:	44979
PubChem CID:	10506970
Reduced:	NPO8C29H34 (1)
Stoich.:	ABC8D29E34 (1)
Weight, g/mol:	555.275172
ΔH_f, kcal/mol:	-315.47
Dipole, Da:	4.76
IP(EA), eV:	-8.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]propanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=C(C=C(C=C1)CC[C@H](N[C@@H](CC2=CC3=C(C=C2)C4=CC=CC=C4O3)C(=O)OC)P(=O)(OC)OC)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=C(C=C(C=C1)CC[C@H](N[C@@H](CC2=CC3=C(C=C2)C4=CC=CC=C4O3)C(=O)OC)P(=O)(OC)OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):