Geometry & MOs

Info

ID:

230408

PubChem CID:

87570812

Reduced:

ClON6C31H43 (1)

Stoich.:

ABC6D31E43 (1)

Weight, g/mol:

539.188852

ΔHf, kcal/mol:

-12.16

Dipole, Da:

4.47

IP(EA), eV:

 -8.67(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-N-[(3R)-3-[4-[[3-(dimethylamino)-2-oxo-1-thiophen-3-ylpropyl]amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N[C@@H](CNC(C)C3=CC=CN3)C4=CC=CC=C4)C)Cl

DOS

IR

Vibrations