Geometry & MOs

Info

ID:	193439
PubChem CID:	78395242
Reduced:	FON7H10C18 (1)
Stoich.:	ABC7D10E18 (1)
Weight, g/mol:	193.032326
ΔH_f, kcal/mol:	116.41
Dipole, Da:	8.17
IP(EA), eV:	-10.16(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-methylsulfanylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=O)C2C3=NC(=C(N=C3N(C2=N1)CC4=CC=C(C=C4)F)C#N)C#N

DOS

IR

Vibrations