Geometry & MOs

Info

ID:	127973
PubChem CID:	51025329
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-120.54
Dipole, Da:	8.51
IP(EA), eV:	-8.99(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,5S)-4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)NC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)N

DOS

IR

Vibrations