Geometry & MOs

Info

ID:	298359
PubChem CID:	117648667
Reduced:	FO2S2H19C28 (1)
Stoich.:	AB2C2D19E28 (1)
Weight, g/mol:	484.0967
ΔH_f, kcal/mol:	4.92
Dipole, Da:	1.13
IP(EA), eV:	-8.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[4-(3-fluoro-4-prop-2-enoylsulfanylphenyl)naphthalen-1-yl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

C=CC(=O)SC1=CC=C(C=C1)C2=CC=C(C3=CC=CC=C32)C4=C(C=C(C=C4)SC(=O)C=C)F

DOS

IR

Vibrations