Geometry & MOs

Info

ID:	84208
PubChem CID:	49865035
Reduced:	Cl2O2N5H21C23 (1)
Stoich.:	A2B2C5D21E23 (1)
Weight, g/mol:	414.040083
ΔH_f, kcal/mol:	26.65
Dipole, Da:	2.42
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl(2-chloroethyl)amino]-3,5-dinitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CC=C(C=C1)C2=CN=C3N2N=C(C=C3)NCC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations