Geometry & MOs

Info

ID:	402739
PubChem CID:	135057089
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-168.71
Dipole, Da:	2.89
IP(EA), eV:	-9.93(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-3,3-dimethyl-2-(phenylsulfanylmethyl)cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC1(N2[C@H](CCO1)[C@H](C2=O)C(=O)OC)C

DOS

IR

Vibrations