Geometry & MOs

Info

ID:	393151
PubChem CID:	135019588
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	636.285402
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	4.72
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,5S)-2-[(3S,6R)-5-acetamido-6-[[(5R)-2-(dimethylamino)-6-(hydroxymethyl)-4-methoxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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

CC1CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)OC(C)(C)C

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

CC1CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4C(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):