Geometry & MOs

Info

ID:	38515
PubChem CID:	8136956
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	4.89
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations