Geometry & MOs

Info

ID:	60189
PubChem CID:	26675871
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	-151.26
Dipole, Da:	5.02
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-anilino-2-oxoethyl)-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations