Geometry & MOs

Info

ID:	137466
PubChem CID:	52211677
Reduced:	ClFSO3N4H14C17 (1)
Stoich.:	ABCD3E4F14G17 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	6.31
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyano-4-nitroanilino)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC2=CC(=NC(=N2)N)Cl)S(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations