Geometry & MOs

Info

ID:	197564
PubChem CID:	78978525
Reduced:	ClNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	327.069592
ΔH_f, kcal/mol:	-146.31
Dipole, Da:	3.54
IP(EA), eV:	-9.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-chloro-5-methylsulfanylbenzoyl)-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC=C)S(=O)(=O)C1=C(C(=CC=C1)Cl)C

DOS

IR

Vibrations