Geometry & MOs

Info

ID:	151807
PubChem CID:	56310617
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-28.46
Dipole, Da:	1.92
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C4=C(S3)CCC4)C#N

DOS

IR

Vibrations