Geometry & MOs

Info

ID:

433622

PubChem CID:

135173762

Reduced:

ClO6N7H34C35 (1)

Stoich.:

AB6C7D34E35 (1)

Weight, g/mol:

672.2728

ΔHf, kcal/mol:

-91.97

Dipole, Da:

9.43

IP(EA), eV:

 -7.12(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[8-[2-chloro-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)C(=O)NC2=CC=CC(=C2Cl)C3=CC=C/C(=N\C4=C5C(=CC(=CN5)CN6CC(C6)C(=O)O)C=CN4)/C3=O)CNCCO

DOS

IR

Vibrations