Geometry & MOs

Info

ID:	298362
PubChem CID:	117648671
Reduced:	FO2S2H23C30 (1)
Stoich.:	AB2C2D23E30 (1)
Weight, g/mol:	470.08105
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	2.11
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[5-(3-fluoro-4-prop-2-enoylsulfanylphenyl)naphthalen-1-yl]phenyl] prop-2-enethioate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)C2=CC=CC3=C2C=CC=C3C4=C(C=C(C=C4)SC(=O)C(=C)C)F

DOS

IR

Vibrations