Geometry & MOs

Info

ID:	152339
PubChem CID:	56311254
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	5.62
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations