Geometry & MOs

Info

ID:	389919
PubChem CID:	134995979
Reduced:	ClSC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	2.16
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(4-methoxyphenyl)-[(2S)-oxepan-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@@]1(CCCC[C@@H]1Cl)SC2=CC=CC=C2

DOS

IR

Vibrations