Geometry & MOs

Info

ID:

335732

PubChem CID:

127254594

Reduced:

N2O5H28C35 (1)

Stoich.:

A2B5C28D35 (1)

Weight, g/mol:

574.165935

ΔHf, kcal/mol:

-72.95

Dipole, Da:

2.66

IP(EA), eV:

 -8.66(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2-chlorobenzoyl)-1'-(3-methoxybenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)C4C5=CC=CC=C5C=CN4[C@@H]3C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations