Geometry & MOs

Info

ID:

234253

PubChem CID:

92298032

Reduced:

FSO3N6C31H31 (1)

Stoich.:

ABC3D6E31F31 (1)

Weight, g/mol:

626.231139

ΔHf, kcal/mol:

-61.33

Dipole, Da:

5.17

IP(EA), eV:

 -8.81(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-3-N-cyclohexyl-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(C3=CC=C(C=C3)F)[C@@H](C4=CC=NC=C4)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations