Geometry & MOs

Info

ID:	153258
PubChem CID:	56312427
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	5.03
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

DOS

IR

Vibrations