Geometry & MOs

Info

ID:	197571
PubChem CID:	78978822
Reduced:	NSF2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	-220.06
Dipole, Da:	3.18
IP(EA), eV:	-9.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-cyanophenyl)sulfonyl-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations