Geometry & MOs

Info

ID:

311353

PubChem CID:

126590645

Reduced:

N3O8C17H25 (1)

Stoich.:

A3B8C17D25 (1)

Weight, g/mol:

545.185666

ΔHf, kcal/mol:

-316.17

Dipole, Da:

3.55

IP(EA), eV:

 -10.12(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[[4-(2,6-dimethoxyphenyl)-5-(4-methoxypyridin-2-yl)-1,2,4-triazol-3-yl]sulfamoyl]-N'-[(E)-2-fluoroprop-1-enyl]-N-methylidenebutanimidamide

Drug info:

PubChemData

Smile

C#CCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations