Geometry & MOs

Info

ID:

329537

PubChem CID:

126737892

Reduced:

N5O6C36H39 (1)

Stoich.:

A5B6C36D39 (1)

Weight, g/mol:

589.209197

ΔHf, kcal/mol:

-139.12

Dipole, Da:

8.9

IP(EA), eV:

 -8.32(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[1-(2-chloroacetyl)pyrrolidin-3-yl]amino]phenyl]-3-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]urea

Drug info:

PubChemData

Smile

CCC(=O)NC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3(CC3)C(=O)NC4=CC(=CC=C4)OC5=C6C=C(C(=CC6=NC=C5)OC)OC

DOS

IR

Vibrations