Geometry & MOs

Info

ID:	153029
PubChem CID:	56312145
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-30.05
Dipole, Da:	2.5
IP(EA), eV:	-8.42(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-1-benzofuran-3-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations