Geometry & MOs

Info

ID:	38926
PubChem CID:	8138172
Reduced:	SN2O3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	399.036578
ΔH_f, kcal/mol:	-54.45
Dipole, Da:	5.73
IP(EA), eV:	-8.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanylethyl 2-[(4-methylphenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)OC)/N=C2SC[C@@H]4CCCO4)C

DOS

IR

Vibrations