Geometry & MOs

Info

ID:	151985
PubChem CID:	56310820
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-139.55
Dipole, Da:	2.54
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations