Geometry & MOs

Info

ID:	21096
PubChem CID:	587185
Reduced:	ClS2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	315.999464
ΔH_f, kcal/mol:	-90.41
Dipole, Da:	1.73
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(4-chlorophenyl)-3-oxo-1-sulfanylprop-1-enyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CCSC(=CC(=O)C1=CC=C(C=C1)Cl)S

DOS

IR

Vibrations