Geometry & MOs

Info

ID:	381976
PubChem CID:	134972866
Reduced:	SiO2S2N3C17H29 (1)
Stoich.:	AB2C2D3E17F29 (1)
Weight, g/mol:	402.111208
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	2.79
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R)-4-methoxy-2-phenylcyclohexyl]ethynyl]thieno[3,2-e][1]benzothiole

Drug info:

PubChemData

Smile

C[C@H](C1[C@H](NC1=O)C2=CC(=NN=C2SC)SC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations