Geometry & MOs

Info

ID:	437565
PubChem CID:	135226553
Reduced:	FO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	466.138485
ΔH_f, kcal/mol:	-141.91
Dipole, Da:	2.54
IP(EA), eV:	-8.63(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3,6,6-trimethyl-3-[8-[2-(3-methyloxetan-3-yl)ethynyl]dibenzothiophen-2-yl]-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1)OCF)C2C=C(CCC2C(=C)C)C)O

DOS

IR

Vibrations