Geometry & MOs

Info

ID:	190118
PubChem CID:	77957065
Reduced:	FO4N6C24H29 (1)
Stoich.:	AB4C6D24E29 (1)
Weight, g/mol:	529.180205
ΔH_f, kcal/mol:	-128.7
Dipole, Da:	5.27
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-[[3-(2-phenylethyl)-2,3-dihydrothiophen-5-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC1=NC2CN(CC2C=N1)C(=O)C(C(C(=O)NCC3CCN(CC3)C4=C(C=C(C=C4)F)C#N)O)O

DOS

IR

Vibrations