Geometry & MOs

Info

ID:	273160
PubChem CID:	103770602
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	5.38
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-cyanophenyl)-N-(3-ethyl-2-hydroxypentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=C(N=C(N=C1SC)C)C)O

DOS

IR

Vibrations