Geometry & MOs

Info

ID:

234195

PubChem CID:

92297903

Reduced:

SO3N7C27H27 (1)

Stoich.:

AB3C7D27E27 (1)

Weight, g/mol:

534.150781

ΔHf, kcal/mol:

-12.05

Dipole, Da:

3.53

IP(EA), eV:

 -8.93(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CN=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations