Geometry & MOs

Info

ID:

433875

PubChem CID:

135174018

Reduced:

Cl2N5O5C39H39 (1)

Stoich.:

A2B5C5D39E39 (1)

Weight, g/mol:

672.165473

ΔHf, kcal/mol:

-78.12

Dipole, Da:

3.07

IP(EA), eV:

 -8.12(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[[8-[2-chloro-3-[2-chloro-3-[(5-formyl-2-hydroxy-1-methyl-2H-pyridine-3-carbonyl)amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC/C(=C\1/C(=C\C(=C/C)\CN2CC(C2)C(=O)OC)/C=CN=C1NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=CC(=CN(C5=O)C)C=O)Cl)/C

DOS

IR

Vibrations