Geometry & MOs

Info

ID:

395275

PubChem CID:

135025058

Reduced:

SN2O2C25H26 (1)

Stoich.:

AB2C2D25E26 (1)

Weight, g/mol:

435.15764

ΔHf, kcal/mol:

-14.9

Dipole, Da:

4.69

IP(EA), eV:

 -8.51(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3aS,4S,6aR)-3-[[1-[(1E,3E)-4-carboxybuta-1,3-dienyl]triazol-4-yl]methyl]-1-methyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations