Geometry & MOs

Info

ID:	298295
PubChem CID:	117648257
Reduced:	FO2S2H17C22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	422.062207
ΔH_f, kcal/mol:	-2.99
Dipole, Da:	1.78
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[4-(2-methylprop-2-enoylsulfanyl)-2-(trifluoromethyl)phenyl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)SC(=O)C(=C)C)F

DOS

IR

Vibrations