Geometry & MOs

Info

ID:	413187
PubChem CID:	135086133
Reduced:	NOSC8H9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	40.62
Dipole, Da:	0.92
IP(EA), eV:	-9.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC/C(=N\O)/C1=CC=CS1

DOS

IR

Vibrations