Geometry & MOs

Info

ID:	229944
PubChem CID:	87569607
Reduced:	ClFSN2O3C16H24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	515.223408
ΔH_f, kcal/mol:	-178.88
Dipole, Da:	11.01
IP(EA), eV:	-9.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(3R)-3-[4-[(N-cyano-N'-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)OC/C(=C/CN)/F.Cl

DOS

IR

Vibrations