Geometry & MOs

Info

ID:	38535
PubChem CID:	8137017
Reduced:	FSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	332.148455
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	6.25
IP(EA), eV:	-9.26(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations