Geometry & MOs

Info

ID:	197565
PubChem CID:	78978526
Reduced:	ClNSO3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	329.058549
ΔH_f, kcal/mol:	-101.3
Dipole, Da:	6.75
IP(EA), eV:	-8.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations