Geometry & MOs

Info

ID:	245430
PubChem CID:	99444686
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	350.145285
ΔH_f, kcal/mol:	-16.31
Dipole, Da:	4.59
IP(EA), eV:	-8.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(4-cyanophenyl)ethyl]-N-ethyl-3-(4-methylsulfanylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=CC=CC(=C4)COC

DOS

IR

Vibrations