Geometry & MOs

Info

ID:

307398

PubChem CID:

125299799

Reduced:

SO2N5H27C28 (1)

Stoich.:

AB2C5D27E28 (1)

Weight, g/mol:

450.127423

ΔHf, kcal/mol:

63.29

Dipole, Da:

7.99

IP(EA), eV:

 -8.69(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(4-fluorophenyl)-5-(2H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(5S)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC(=O)[C@@H]3C(=N2)C(=CS3)C4=CC=CC=C4)C(=O)NCCC5=C6C=CC=CC6=NC5

DOS

IR

Vibrations