Geometry & MOs

Info

ID:	154375
PubChem CID:	56313797
Reduced:	FSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	6.78
IP(EA), eV:	-9.38(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2F

DOS

IR

Vibrations