Geometry & MOs

Info

ID:	268326
PubChem CID:	103598933
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	350.143056
ΔH_f, kcal/mol:	36.47
Dipole, Da:	5.72
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-3-(3-fluoro-4-methoxyphenyl)-N-prop-2-enylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)N(CC=C)CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations