Geometry & MOs

Info

ID:	230029
PubChem CID:	87569895
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	568.205709
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	6.44
IP(EA), eV:	-9.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(N'-methyl-N-methylsulfonylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1(CC(=CC=C1)C2=CC=CC=C2)OC.C(=N)=O.C(=N)=O

DOS

IR

Vibrations