Geometry & MOs

Info

ID:	413188
PubChem CID:	135086134
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	5.44
IP(EA), eV:	-9.17(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/CCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])\C2=CC=C(C=C2)C

DOS

IR

Vibrations