Geometry & MOs

Info

ID:	27452
PubChem CID:	821414
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	336.23006
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	8.43
IP(EA), eV:	-8.39(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S,7R,9S,10R,12S,13S,14R)-5,5-bis(hydroxymethyl)-9,13-dimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-3,7-diol

Drug info:

PubChemData

Smile

C1CCC2(CC1)[C@@H]3CCCC[C@]3(NC(=S)N2)O

DOS

IR

Vibrations