Geometry & MOs

Info

ID:	298358
PubChem CID:	117648666
Reduced:	FO2S2H19C24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	470.08105
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	2.89
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[4-(2-fluoro-4-prop-2-enoylsulfanylphenyl)naphthalen-1-yl]phenyl] prop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=C(C=C3)SC(=O)C(=C)C)F

DOS

IR

Vibrations