Geometry & MOs

Info

ID:

427355

PubChem CID:

135157552

Reduced:

N2S3O7C37H40 (1)

Stoich.:

A2B3C7D37E40 (1)

Weight, g/mol:

474.239973

ΔHf, kcal/mol:

-170.2

Dipole, Da:

11.68

IP(EA), eV:

 -6.48(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(5S)-3,4,5-trihydroxy-3,4,5,6,6-pentamethyloxan-2-yl]ethyl 5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)OS(=O)(=O)C1=CC2=C(C=C1)N(CC2)C3=CC4=C(C=C3)C(=O)C5=C(S4(C)C)C=C(C=C5)N6CCC7=C6C=CC(=C7)S(=O)(=O)OC(C)C

DOS

IR

Vibrations