Geometry & MOs

Info

ID:	189604
PubChem CID:	77879829
Reduced:	SN3O7H15C16 (1)
Stoich.:	AB3C7D15E16 (1)
Weight, g/mol:	321.149557
ΔH_f, kcal/mol:	-160.78
Dipole, Da:	7.06
IP(EA), eV:	-9.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-2-phenylethyl)-[3-(3-hydroxyphenyl)propyl]-methylazanium;chloride

Drug info:

PubChemData

Smile

CC(=O)NC1C2N(C1=O)C(=C(CS2)O)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations