Geometry & MOs

Info

ID:

334873

PubChem CID:

127253679

Reduced:

O7H22C27 (1)

Stoich.:

A7B22C27 (1)

Weight, g/mol:

639.305684

ΔHf, kcal/mol:

-168.76

Dipole, Da:

5.89

IP(EA), eV:

 -8.5(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-10-[[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=O)OC3=C2C4=C(C=C3)C(=O)/C(=C/C5=CC(=C(C=C5)OC)OC)/O4

DOS

IR

Vibrations