Geometry & MOs

Info

ID:	38899
PubChem CID:	8138133
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	-72.54
Dipole, Da:	5.37
IP(EA), eV:	-8.74(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3)C

DOS

IR

Vibrations