Geometry & MOs

Info

ID:	155618
PubChem CID:	56366324
Reduced:	BrClN3O3H17C20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	364.024868
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	5.72
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(2-cyanophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations