Geometry & MOs

Info

ID:	244053
PubChem CID:	99309531
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	497.208134
ΔH_f, kcal/mol:	-166.69
Dipole, Da:	4.67
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations