Geometry & MOs

Info

ID:	65111
PubChem CID:	29204484
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-180.78
Dipole, Da:	7.5
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations