Geometry & MOs

Info

ID:

234045

PubChem CID:

92297606

Reduced:

O3N6C31H34 (1)

Stoich.:

A3B6C31D34 (1)

Weight, g/mol:

544.189275

ΔHf, kcal/mol:

14.36

Dipole, Da:

7.29

IP(EA), eV:

 -8.72(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-(3-methylphenyl)-5-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-quinolin-6-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C4CCCC4)N(CC5=CC=C(C=C5)OC)CC6=CC=CO6)C

DOS

IR

Vibrations