Geometry & MOs

Info

ID:	196231
PubChem CID:	78799599
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	3.83
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydroxyphenyl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CSCC1=CC=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)O)O

DOS

IR

Vibrations