Geometry & MOs

Info

ID:

134118

PubChem CID:

51645962

Reduced:

SO2N5C24H28 (1)

Stoich.:

AB2C5D24E28 (1)

Weight, g/mol:

457.214761

ΔHf, kcal/mol:

-1.1

Dipole, Da:

1.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.778190

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CNC2(CCN(CC2)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4)C5=C1NC=[NH+]5

DOS

IR

Vibrations