Geometry & MOs

Info

ID:	285851
PubChem CID:	104134003
Reduced:	ClSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-122.32
Dipole, Da:	6.46
IP(EA), eV:	-10.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-chloro-N,6-di(propan-2-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(CC)C2CCS(=O)(=O)C2)Cl

DOS

IR

Vibrations