Geometry & MOs

Info

ID:	336345
PubChem CID:	127255352
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	578.116398
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	9.31
IP(EA), eV:	-9.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(2-chlorobenzoyl)-1'-(4-chlorobenzoyl)-7'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1CCN(CC1)C(=O)C2CC2)N3C=NN=N3

DOS

IR

Vibrations