Geometry & MOs

Info

ID:	357376
PubChem CID:	127294009
Reduced:	SN2O2C23H30 (1)
Stoich.:	AB2C2D23E30 (1)
Weight, g/mol:	353.108565
ΔH_f, kcal/mol:	-92.72
Dipole, Da:	5.63
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzothiophen-2-yl)ethyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2S1)NC(=O)C3CCC(CC3)NC(=O)C4CCCC4

DOS

IR

Vibrations