Geometry & MOs

Info

ID:	177915
PubChem CID:	76250849
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	425.138043
ΔH_f, kcal/mol:	-95.02
Dipole, Da:	5.0
IP(EA), eV:	-8.8(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(1,4-dioxophthalazin-2-ium-2-yl)acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations