Geometry & MOs

Info

ID:	60192
PubChem CID:	26675876
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	482.151158
ΔH_f, kcal/mol:	-180.37
Dipole, Da:	3.57
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations