Geometry & MOs

Info

ID:

16294

PubChem CID:

463713

Reduced:

SF2O3N7H21C25 (1)

Stoich.:

AB2C3D7E21F25 (1)

Weight, g/mol:

537.139465

ΔHf, kcal/mol:

-36.44

Dipole, Da:

6.38

IP(EA), eV:

 -9.17(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-6-yl]-N'-hydroxybenzenecarboximidamide

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)SC(=C4)C5=CC=C(C=C5)C(=NO)N

DOS

IR

Vibrations