Geometry & MOs

Info

ID:

86450

PubChem CID:

49885711

Reduced:

SN4O5C28H28 (1)

Stoich.:

AB4C5D28E28 (1)

Weight, g/mol:

501.158309

ΔHf, kcal/mol:

-74.43

Dipole, Da:

7.87

IP(EA), eV:

 -8.41(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-cyano-2-methylpyrazol-3-yl)-2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC(C)C(=O)NC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations