Geometry & MOs

Info

ID:

186247

PubChem CID:

77411480

Reduced:

Cl2N3O6C32H33 (1)

Stoich.:

A2B3C6D32E33 (1)

Weight, g/mol:

541.243753

ΔHf, kcal/mol:

-143.64

Dipole, Da:

3.12

IP(EA), eV:

 -8.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-methoxy-3-[2-oxo-2-(5-pyridin-2-yl-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl)acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC(CCOC1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=C(C=C4)Cl)C5C=C(C=CC5N3)Cl)OC(=O)C

DOS

IR

Vibrations