Geometry & MOs

Info

ID:	169692
PubChem CID:	75137344
Reduced:	SN4O5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	396.08524
ΔH_f, kcal/mol:	-157.99
Dipole, Da:	6.34
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzylamino)-2-oxoethyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations