Geometry & MOs

Info

ID:	162390
PubChem CID:	57394529
Reduced:	SF3O5N6C33H33 (1)
Stoich.:	AB3C5D6E33F33 (1)
Weight, g/mol:	347.047984
ΔH_f, kcal/mol:	-245.36
Dipole, Da:	5.81
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dichlorophenyl)-N-[2-(4-methylphenyl)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)OC2=CC=C(C=C2)NS(=O)(=O)C)CN3CCC(CC3)N(C4=CC(=CC=C4)F)C(=O)NC5=C(C=C(C(=C5)C(=O)N)F)F

DOS

IR

Vibrations