Geometry & MOs

Info

ID:	322123
PubChem CID:	126668759
Reduced:	SN2O4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	1.09
IP(EA), eV:	-9.58(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-5-cyclohexyl-2-hydroxy-4,9-diazatricyclo[4.3.1.03,8]decane-9-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)CS(=O)C2=NC=CC(=O)N2

DOS

IR

Vibrations