Geometry & MOs

Info

ID:	197563
PubChem CID:	78978524
Reduced:	FNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	331.064507
ΔH_f, kcal/mol:	-184.15
Dipole, Da:	5.52
IP(EA), eV:	-9.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations