Geometry & MOs

Info

ID:	192835
PubChem CID:	78318209
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	654.215985
ΔH_f, kcal/mol:	-153.54
Dipole, Da:	4.82
IP(EA), eV:	-9.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[2-[(2R,3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4-[(2S,3R)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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

CC1C2(CCCN2C(=O)OC(C)(C)C)C(=O)N1[C@H](C3=NC=CC=N3)[C@@H](C)O

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

CC1C2(CCCN2C(=O)OC(C)(C)C)C(=O)N1[C@H](C3=NC=CC=N3)[C@@H](C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):