Geometry & MOs

Info

ID:	22373
PubChem CID:	597036
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	4.92
IP(EA), eV:	-8.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C3CCCCC3=CS2

DOS

IR

Vibrations