Geometry & MOs

Info

ID:

441424

PubChem CID:

135234609

Reduced:

SO2N6C25H26 (1)

Stoich.:

AB2C6D25E26 (1)

Weight, g/mol:

505.160617

ΔHf, kcal/mol:

30.25

Dipole, Da:

7.2

IP(EA), eV:

 -8.03(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-hydroxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(CC4)O)CC5=CN=CC=C5

DOS

IR

Vibrations