Geometry & MOs

Info

ID:	192181
PubChem CID:	78236470
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	248.201439
ΔH_f, kcal/mol:	-134.03
Dipole, Da:	4.62
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclooctyl-(2-hydroxy-2-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

DOS

IR

Vibrations