Geometry & MOs

Info

ID:	437577
PubChem CID:	135226622
Reduced:	NO2S2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	520.152421
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	4.39
IP(EA), eV:	-8.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(2R)-1-(2-cyanopropan-2-ylsulfonyl)-2-(8-ethoxydibenzothiophen-2-yl)propan-2-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)SC3=C2C=C(C=C3)/C(=N/[S@](=O)C(C)(C)C)/C

DOS

IR

Vibrations