Geometry & MOs

Info

ID:	61903
PubChem CID:	26715551
Reduced:	FON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	474.091929
ΔH_f, kcal/mol:	13.59
Dipole, Da:	3.81
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(methylsulfamoyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)F

DOS

IR

Vibrations