Geometry & MOs

Info

ID:	131239
PubChem CID:	51180296
Reduced:	SCl2O3N4H12C15 (1)
Stoich.:	AB2C3D4E12F15 (1)
Weight, g/mol:	394.059946
ΔH_f, kcal/mol:	-56.88
Dipole, Da:	7.71
IP(EA), eV:	-8.36(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-3,5-dichlorophenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC(=O)NC3=CC(=C(C(=C3)Cl)N)Cl

DOS

IR

Vibrations