Geometry & MOs

Info

ID:	383472
PubChem CID:	134975214
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	272.198759
ΔH_f, kcal/mol:	-36.35
Dipole, Da:	4.69
IP(EA), eV:	-8.4(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,5S)-5-[(2S,5R)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN(C)/C=C/1\CCC2=C(C1=O)SC3=C2C(=O)N4CCCC4=N3

DOS

IR

Vibrations