Geometry & MOs

Info

ID:	335803
PubChem CID:	127254665
Reduced:	SO4N5H19C23 (1)
Stoich.:	AB4C5D19E23 (1)
Weight, g/mol:	619.07428
ΔH_f, kcal/mol:	-72.26
Dipole, Da:	8.14
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)CC1=CSC(=N1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations