Geometry & MOs

Info

ID:

335932

PubChem CID:

127254939

Reduced:

ClNO4H26C35 (1)

Stoich.:

ABC4D26E35 (1)

Weight, g/mol:

562.145949

ΔHf, kcal/mol:

-24.23

Dipole, Da:

4.92

IP(EA), eV:

 -8.31(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-1'-(4-chlorobenzoyl)-2'-(2-fluorobenzoyl)-7'-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=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)OC

DOS

IR

Vibrations