Geometry & MOs

Info

ID:

12906

PubChem CID:

148120

Reduced:

O2N3H14C18 (2)

Stoich.:

A2B3C14D18 (2)

Weight, g/mol:

608.217203

ΔHf, kcal/mol:

-6.48

Dipole, Da:

7.19

IP(EA), eV:

 -8.32(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C3=C(C=C2)NC=C3C(=O)N4C[C@H]5C[C@@]56C4=CC(=O)C7=CC=CC=C67)C(=O)C8=CC9=C(N8)C=CC1=C9CCN1C(=O)N

DOS

IR

Vibrations