Geometry & MOs

Info

ID:	272677
PubChem CID:	103751055
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	295.1606
ΔH_f, kcal/mol:	-94.87
Dipole, Da:	4.58
IP(EA), eV:	-9.26(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-methylpentan-3-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=CC=CO2)C(=O)NC(CCO)C(C)C

DOS

IR

Vibrations