Geometry & MOs

Info

ID:	392998
PubChem CID:	135018858
Reduced:	F3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-263.71
Dipole, Da:	2.76
IP(EA), eV:	-9.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1Z)-N-(4-methylphenyl)sulfonyl-2-phenylpent-4-enimidate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2C=CC=CC2C1=O)C(F)(F)F

DOS

IR

Vibrations