Geometry & MOs

Info

ID:	22369
PubChem CID:	597025
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	299.098
ΔH_f, kcal/mol:	-51.16
Dipole, Da:	7.46
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations