Geometry & MOs

Info

ID:	153720
PubChem CID:	56313024
Reduced:	ClFSN2O4C19H22 (1)
Stoich.:	ABCD2E4F19G22 (1)
Weight, g/mol:	327.163457
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	6.36
IP(EA), eV:	-9.71(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)OC)C2=CC=CC=C2F

DOS

IR

Vibrations