Geometry & MOs

Info

ID:	268243
PubChem CID:	103598564
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	301.122655
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	7.54
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-cyanoethyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C=CC(=O)N(CC2=CC=CO2)C3CCCC3

DOS

IR

Vibrations