Geometry & MOs

Info

ID:	54300
PubChem CID:	16961638
Reduced:	SN4O4H14C20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	400.039893
ΔH_f, kcal/mol:	39.57
Dipole, Da:	10.13
IP(EA), eV:	-8.66(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylsulfonylphenyl)-2-methoxy-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S/C=C/C4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations