Geometry & MOs

Info

ID:	145246
PubChem CID:	53487210
Reduced:	NSO3C13H27 (1)
Stoich.:	ABC3D13E27 (1)
Weight, g/mol:	236.006264
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	5.88
IP(EA), eV:	-8.85(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(R)-phenylsulfinyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(C)(C)C(=O)O)NS(=O)C(C)(C)C

DOS

IR

Vibrations