Geometry & MOs

Info

ID:

433561

PubChem CID:

135173701

Reduced:

S2F3N8O9C53H59 (1)

Stoich.:

A2B3C8D9E53F59 (1)

Weight, g/mol:

586.269239

ΔHf, kcal/mol:

-384.66

Dipole, Da:

7.21

IP(EA), eV:

 -8.56(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-formyl-1,7-naphthyridin-8-yl)amino]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxo-5-(pyrrolidin-1-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC4=CC=C(C=C4)C5=CC6=C(NC=C6C(=O)C7=C(C=CC(=C7F)NS(=O)(=O)N8CC[C@H](C8)F)F)N=C5

DOS

IR

Vibrations