Geometry & MOs

Info

ID:	62003
PubChem CID:	26716870
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	452.079055
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	5.71
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C/C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations