Geometry & MOs

Info

ID:

86005

PubChem CID:

49880968

Reduced:

SO3N4C24H26 (1)

Stoich.:

AB3C4D24E26 (1)

Weight, g/mol:

514.134462

ΔHf, kcal/mol:

-32.19

Dipole, Da:

2.06

IP(EA), eV:

 -8.91(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations