Geometry & MOs

Info

ID:	282221
PubChem CID:	103919027
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	4.66
IP(EA), eV:	-9.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCCCCCO)NC(=O)C1=CC=CS1

DOS

IR

Vibrations