Geometry & MOs

Info

ID:	69244
PubChem CID:	46530517
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	9.44
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(phenyl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC(=O)N

DOS

IR

Vibrations