Geometry & MOs

Info

ID:

85957

PubChem CID:

49880641

Reduced:

S2O3N5H23C28 (1)

Stoich.:

A2B3C5D23E28 (1)

Weight, g/mol:

522.150781

ΔHf, kcal/mol:

55.39

Dipole, Da:

6.41

IP(EA), eV:

 -8.81(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5COC6=CC=CC=C6O5

DOS

IR

Vibrations