Geometry & MOs

Info

ID:	298292
PubChem CID:	117648241
Reduced:	F2O2S2H14C19 (1)
Stoich.:	A2B2C2D14E19 (1)
Weight, g/mol:	398.005835
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	2.11
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations