Geometry & MOs

Info

ID:

86346

PubChem CID:

49884301

Reduced:

SN4O5C23H24 (1)

Stoich.:

AB4C5D23E24 (1)

Weight, g/mol:

549.150447

ΔHf, kcal/mol:

-115.39

Dipole, Da:

4.98

IP(EA), eV:

 -9.08(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[4-methyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4-(4-methylphenyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations