Geometry & MOs

Info

ID:	205160
PubChem CID:	80062284
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	312.13953
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	7.24
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methylsulfonylcyclohexyl)oxyphenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)S(=O)(=O)N(C)CC2=NOC(=C2)C)Cl

DOS

IR

Vibrations