Geometry & MOs

Info

ID:	197570
PubChem CID:	78978821
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	319.068985
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	5.63
IP(EA), eV:	-9.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,5-difluorophenyl)sulfonyl-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CCOC1=CC=C(C=C1)C#N)CC=C

DOS

IR

Vibrations