Geometry & MOs

Info

ID:

309326

PubChem CID:

126545076

Reduced:

SO4N5C26H27 (1)

Stoich.:

AB4C5D26E27 (1)

Weight, g/mol:

543.168873

ΔHf, kcal/mol:

-90.59

Dipole, Da:

4.73

IP(EA), eV:

 -9.14(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[(1-methylsulfonyl-2'-oxospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1'-yl)methyl]isoquinolin-4-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC2(CC1)C3=C(C=NC=C3)N(C2=O)CC4=C(C5=CC=CC=C5C=N4)[C@H]6CC(=O)NC6

DOS

IR

Vibrations