Geometry & MOs

Info

ID:	203886
PubChem CID:	79889345
Reduced:	NSO2C7H13 (1)
Stoich.:	ABC2D7E13 (1)
Weight, g/mol:	261.962206
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	4.77
IP(EA), eV:	-9.33(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,5-dichlorophenyl)sulfanylprop-2-enoate

Drug info:

PubChemData

Smile

CC(CCSC=CC(=O)O)N

DOS

IR

Vibrations