Geometry & MOs

Info

ID:	60200
PubChem CID:	26675890
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	-181.8
Dipole, Da:	7.1
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methylphenyl)sulfonyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations