Geometry & MOs

Info

ID:

234260

PubChem CID:

92298042

Reduced:

SO3N6C28H28 (1)

Stoich.:

AB3C6D28E28 (1)

Weight, g/mol:

530.173625

ΔHf, kcal/mol:

-31.71

Dipole, Da:

4.99

IP(EA), eV:

 -8.75(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(C4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations