Geometry & MOs

Info

ID:

335985

PubChem CID:

127254992

Reduced:

NO5H29C36 (1)

Stoich.:

AB5C29D36 (1)

Weight, g/mol:

558.147698

ΔHf, kcal/mol:

7.96

Dipole, Da:

3.71

IP(EA), eV:

 -8.29(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2,4-dichlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=C(C=CC(=C7)OC)OC

DOS

IR

Vibrations