Geometry & MOs

Info

ID:

322670

PubChem CID:

126670768

Reduced:

SO2N4C30H38 (1)

Stoich.:

AB2C4D30E38 (1)

Weight, g/mol:

503.149123

ΔHf, kcal/mol:

-57.73

Dipole, Da:

5.61

IP(EA), eV:

 -7.92(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(3aR,6S,6aS)-6-[5-(methylamino)-5-oxopentyl]-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-yl]methyl]-3,5-dimethoxyphenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)NCC2=CC=CC=C2)C3=CC4=C(S3)CCN(C4=O)CC5=C(C=C(NC5=O)C)C

DOS

IR

Vibrations