Geometry & MOs

Info

ID:	220744
PubChem CID:	85230835
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-72.73
Dipole, Da:	5.07
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2-methylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC(=C1C=CC=CC1=O)NNS(=O)(=O)C

DOS

IR

Vibrations