Geometry & MOs

Info

ID:	298357
PubChem CID:	117648611
Reduced:	SO4N6C22H24 (1)
Stoich.:	AB4C6D22E24 (1)
Weight, g/mol:	422.08105
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	6.08
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[6-[2-fluoro-4-(2-methylprop-2-enoylsulfanyl)phenyl]naphthalen-2-yl] 2-methylprop-2-enethioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC)N=NC2=CC(=C(C(=C2N)N=NC3=CC=CC(=C3)C)N)S(=O)(=O)O

DOS

IR

Vibrations