Geometry & MOs

Info

ID:	298301
PubChem CID:	117648264
Reduced:	FOSH6C9 (2)
Stoich.:	ABCD6E9 (2)
Weight, g/mol:	380.015256
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	2.53
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-(3,5-difluoro-4-prop-2-enoylsulfanylphenyl)-3-fluorophenyl] prop-2-enethioate

Drug info:

PubChemData

Smile

C=CC(=O)SC1=CC(=C(C=C1)C2=C(C=C(C=C2)SC(=O)C=C)F)F

DOS

IR

Vibrations