Geometry & MOs

Info

ID:	130919
PubChem CID:	51128945
Reduced:	ClSN3O3C16H22 (1)
Stoich.:	ABC3D3E16F22 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	4.06
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)CN1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations