Geometry & MOs

Info

ID:

17021

PubChem CID:

482362

Reduced:

SF2O4N8H20C21 (1)

Stoich.:

AB2C4D8E20F21 (1)

Weight, g/mol:

518.129629

ΔHf, kcal/mol:

-123.95

Dipole, Da:

4.64

IP(EA), eV:

 -9.65(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxo-N'-sulfamoylquinazoline-7-carboximidamide

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)C=CC(=C4)C(=NS(=O)(=O)N)N

DOS

IR

Vibrations