Geometry & MOs

Info

ID:	242949
PubChem CID:	99214432
Reduced:	SN3O4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	360.108562
ΔH_f, kcal/mol:	-50.55
Dipole, Da:	4.57
IP(EA), eV:	-9.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(5-cyano-2-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3

DOS

IR

Vibrations