Geometry & MOs

Info

ID:	200787
PubChem CID:	79443917
Reduced:	NOC17H29 (1)
Stoich.:	ABC17D29 (1)
Weight, g/mol:	314.118795
ΔH_f, kcal/mol:	-57.76
Dipole, Da:	1.48
IP(EA), eV:	-8.31(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-2-[(2-methoxyphenyl)methyl]propane-1,3-diol

Drug info:

PubChemData

Smile

CCC(C)C(CNC)C1=CC=C(C=C1)OCC(C)C

DOS

IR

Vibrations