Geometry & MOs

Info

ID:

234040

PubChem CID:

92297587

Reduced:

SO3N6C28H34 (1)

Stoich.:

AB3C6D28E34 (1)

Weight, g/mol:

544.189275

ΔHf, kcal/mol:

-60.25

Dipole, Da:

3.24

IP(EA), eV:

 -8.0(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N([C@@H](C2=CC=C(C=C2)N(C)C)C(=O)NC3CCCCC3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations