Geometry & MOs

Info

ID:

309400

PubChem CID:

126546008

Reduced:

O3N6H26C28 (1)

Stoich.:

A3B6C26D28 (1)

Weight, g/mol:

551.228102

ΔHf, kcal/mol:

19.44

Dipole, Da:

6.66

IP(EA), eV:

 -8.91(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C(=O)N2CCC3(CC2)C4=C(C=NC=C4)N(C3=O)CC5=C(C6=CC=CC=C6C=N5)C7=NC=CO7)N

DOS

IR

Vibrations