Geometry & MOs

Info

ID:	244069
PubChem CID:	99309609
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	465.154469
ΔH_f, kcal/mol:	-1.47
Dipole, Da:	3.61
IP(EA), eV:	-8.31(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)NCCC(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations