Geometry & MOs

Info

ID:	69172
PubChem CID:	46530285
Reduced:	SO3N6H18C19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	5.82
Dipole, Da:	6.15
IP(EA), eV:	-9.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-4-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(N2CCC(=O)N)C3=CC=CO3

DOS

IR

Vibrations