Geometry & MOs

Info

ID:	335638
PubChem CID:	127254500
Reduced:	ClNSO4H12C15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	626.04081
ΔH_f, kcal/mol:	-119.9
Dipole, Da:	9.39
IP(EA), eV:	-8.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-1'-(4-bromobenzoyl)-7'-chloro-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC=C(S3)Cl)CC(=O)O)C(=O)N1C

DOS

IR

Vibrations