Geometry & MOs

Info

ID:

319934

PubChem CID:

126657625

Reduced:

ON2C9H18 (1)

Stoich.:

AB2C9D18 (1)

Weight, g/mol:

705.254711

ΔHf, kcal/mol:

-59.8

Dipole, Da:

3.43

IP(EA), eV:

-7.89(0.68)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[2-(1,8-dimethyl-4-oxo-3,7,8,8a-tetrahydropyrrolo[3,2-e]indole-6-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\NC)/NC(=O)C(C)(C)C

DOS

IR

Vibrations