Geometry & MOs

Info

ID:

234197

PubChem CID:

92297906

Reduced:

FSO3N6H27C28 (1)

Stoich.:

ABC3D6E27F28 (1)

Weight, g/mol:

562.179853

ΔHf, kcal/mol:

-74.97

Dipole, Da:

4.39

IP(EA), eV:

 -8.91(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(4-fluorophenyl)methyl]-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

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

DOS

IR

Vibrations