Geometry & MOs

Info

ID:	60201
PubChem CID:	26675894
Reduced:	SN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	498.146072
ΔH_f, kcal/mol:	-165.7
Dipole, Da:	8.27
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2C)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations