Geometry & MOs

Info

ID:	405584
PubChem CID:	135074551
Reduced:	SN2O4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	4.22
IP(EA), eV:	-9.88(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-4-(2-methylphenyl)hex-4-enyl]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)/C=C\CCCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations