Geometry & MOs

Info

ID:

425371

PubChem CID:

135126079

Reduced:

SO7N8C51H66 (1)

Stoich.:

AB7C8D51E66 (1)

Weight, g/mol:

353.12949

ΔHf, kcal/mol:

-247.32

Dipole, Da:

12.73

IP(EA), eV:

 -8.7(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C[C@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)N4C[C@@H](N(C(=O)C4=O)CCC5=CC=CC=C5)CC6=CC=C(C=C6)O)CN7[C@H](CNC(=O)C7=O)CC8=CC=CC=C8

DOS

IR

Vibrations