Geometry & MOs

Info

ID:	197562
PubChem CID:	78978523
Reduced:	ClN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	315.094057
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	5.76
IP(EA), eV:	-9.05(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-fluoro-5-methylphenyl)sulfonyl-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC=C)CC(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations