Geometry & MOs

Info

ID:	223484
PubChem CID:	85335110
Reduced:	SCl2N2O3C15H22 (1)
Stoich.:	AB2C2D3E15F22 (1)
Weight, g/mol:	382.213554
ΔH_f, kcal/mol:	-131.9
Dipole, Da:	4.55
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-chloro-N-[[1-(2-ethylpentyl)piperidin-4-yl]methyl]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CC(CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)O)C

DOS

IR

Vibrations