Geometry & MOs

Info

ID:	298321
PubChem CID:	117648317
Reduced:	SO2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	390.055978
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	3.29
IP(EA), eV:	-8.85(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[3,5-difluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)SC(=O)C=C

DOS

IR

Vibrations