Geometry & MOs

Info

ID:	404363
PubChem CID:	135066031
Reduced:	SiN2O3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	286.139137
ΔH_f, kcal/mol:	-152.33
Dipole, Da:	2.57
IP(EA), eV:	-8.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-(4-methylphenyl)sulfinyl]-2-[(2R)-pentan-2-yl]benzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1O[C@@](C2)(C)C(=O)C3=NC=CN3)C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations