Geometry & MOs

Info

ID:	131020
PubChem CID:	51145877
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	2.56
IP(EA), eV:	-9.24(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=CC=N2)NC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations