Geometry & MOs

Info

ID:	19602
PubChem CID:	568877
Reduced:	SF3N3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	361.086053
ΔH_f, kcal/mol:	-56.08
Dipole, Da:	9.1
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-benzylsulfanyl-2-cyano-3,3,3-trifluoroprop-1-enyl)benzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC(=C(C#N)C(F)(F)F)N=C(C2=CC=CC=C2)N

DOS

IR

Vibrations