Geometry & MOs

Info

ID:	298361
PubChem CID:	117648670
Reduced:	FO3N9C28H30 (1)
Stoich.:	AB3C9D28E30 (1)
Weight, g/mol:	498.11235
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	5.99
IP(EA), eV:	-8.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-[5-[2-fluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]naphthalen-1-yl]phenyl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)OC)N4C=CN=N4)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations