Geometry & MOs

Info

ID:	273388
PubChem CID:	103771003
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	316.12792
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	3.0
IP(EA), eV:	-9.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C(C)(C)C1=CC=CC=C1)O

DOS

IR

Vibrations