Geometry & MOs

Info

ID:	142600
PubChem CID:	53064389
Reduced:	SO3N5C22H33 (1)
Stoich.:	AB3C5D22E33 (1)
Weight, g/mol:	403.131425
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	7.62
IP(EA), eV:	-9.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)N=N2

DOS

IR

Vibrations