Geometry & MOs

Info

ID:

309327

PubChem CID:

126545108

Reduced:

SO4N7H25C27 (1)

Stoich.:

AB4C7D25E27 (1)

Weight, g/mol:

469.155018

ΔHf, kcal/mol:

-37.0

Dipole, Da:

4.63

IP(EA), eV:

 -9.05(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1'-[(7-fluoro-4-pyridin-3-ylisoquinolin-3-yl)methyl]-2'-oxospiro[azetidine-3,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC2(CC1)C3=C(C=NC=C3)N(C2=O)CC4=C(C5=CC=CC=C5C=N4)C6=CN=C(C=N6)C(=O)N

DOS

IR

Vibrations