Geometry & MOs

Info

ID:	291416
PubChem CID:	112378984
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	336.09662
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	2.94
IP(EA), eV:	-9.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C2=CC(=NC=C2)Cl

DOS

IR

Vibrations