Geometry & MOs

Info

ID:	283842
PubChem CID:	104011969
Reduced:	NSH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	286.091769
ΔH_f, kcal/mol:	83.13
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1CSCC2=C1SC(=C2)/C(=C(\C#N)/C3=CC=CC=C3)/N

DOS

IR

Vibrations