Geometry & MOs

Info

ID:	153151
PubChem CID:	56312298
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-13.6
Dipole, Da:	2.37
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dimethyl-2-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CO5

DOS

IR

Vibrations