Geometry & MOs

Info

ID:	282625
PubChem CID:	103933334
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	329.121628
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	3.43
IP(EA), eV:	-9.1(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)(C(C)(C)O)NC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations