Geometry & MOs

Info

ID:	152819
PubChem CID:	56311894
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-143.16
Dipole, Da:	5.19
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations