Geometry & MOs

Info

ID:

311444

PubChem CID:

126592898

Reduced:

BrFIO2N5C20H20 (1)

Stoich.:

ABCD2E5F20G20 (1)

Weight, g/mol:

585.248186

ΔHf, kcal/mol:

-29.44

Dipole, Da:

6.23

IP(EA), eV:

 -9.34(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-[[4-(4,6-dimethoxypyrimidin-5-yl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]sulfamoyl]-N-methylidene-N'-(2-methylprop-1-enyl)-2-propan-2-yloxybutanimidamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)/C(=N/I)/NC2=CC(=C(C=C2)F)Br)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations