Geometry & MOs

Info

ID:

441423

PubChem CID:

135234596

Reduced:

S2N3O11H27C32 (1)

Stoich.:

A2B3C11D27E32 (1)

Weight, g/mol:

474.183795

ΔHf, kcal/mol:

-328.05

Dipole, Da:

12.78

IP(EA), eV:

 -9.33(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-N-[4-[2-hydroxy-1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N4C1=C5C=C6C=C(C(=O)C=C6OC5CC4)S(=O)(=O)O)CC(=O)NCCN7C(=O)C=CC7=O

DOS

IR

Vibrations