Geometry & MOs

Info

ID:	273424
PubChem CID:	103771098
Reduced:	NCl2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	3.34
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations