Geometry & MOs

Info

ID:

234159

PubChem CID:

92297842

Reduced:

FSO3N6H25C27 (1)

Stoich.:

ABC3D6E25F27 (1)

Weight, g/mol:

546.184938

ΔHf, kcal/mol:

-69.57

Dipole, Da:

5.99

IP(EA), eV:

 -8.76(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-(3-fluorophenyl)-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(C4=CC(=CC=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations