Geometry & MOs

Info

ID:	155849
PubChem CID:	56367838
Reduced:	SN2O5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	462.122546
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	3.17
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorobenzoyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)NC(=O)CN4C(=O)COC5=CC=CC=C54

DOS

IR

Vibrations