Geometry & MOs

Info

ID:	273481
PubChem CID:	103771193
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	321.062399
ΔH_f, kcal/mol:	-97.53
Dipole, Da:	3.9
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations