Geometry & MOs

Info

ID:	194516
PubChem CID:	78548032
Reduced:	ClSN2O3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	379.064507
ΔH_f, kcal/mol:	-103.96
Dipole, Da:	3.93
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations