Geometry & MOs

Info

ID:	217018
PubChem CID:	85087125
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	324.23006
ΔH_f, kcal/mol:	-133.16
Dipole, Da:	2.42
IP(EA), eV:	-9.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,13-bis(hydroxymethyl)-2-methyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1=CSC=C1)NC(=O)C2CCCCN2

DOS

IR

Vibrations