Geometry & MOs

Info

ID:	229855
PubChem CID:	87569370
Reduced:	SO3N5C26H35 (1)
Stoich.:	AB3C5D26E35 (1)
Weight, g/mol:	522.194178
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	7.17
IP(EA), eV:	-8.77(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-chloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-N-oxidopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)NCCC(C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)C)C#N

DOS

IR

Vibrations