Geometry & MOs

Info

ID:	336041
PubChem CID:	127255048
Reduced:	SO4N5H17C22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	634.11033
ΔH_f, kcal/mol:	-64.8
Dipole, Da:	4.18
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=NC(=CS5)CC(=O)N

DOS

IR

Vibrations