Geometry & MOs

Info

ID:

229964

PubChem CID:

87569699

Reduced:

ClSN2O4F7H20C22 (1)

Stoich.:

ABC2D4E7F20G22 (1)

Weight, g/mol:

620.324371

ΔHf, kcal/mol:

-477.89

Dipole, Da:

6.12

IP(EA), eV:

 -10.06(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[1-[[(E)-2-methyl-3-(2,3,4,5-tetramethoxy-6-methylphenyl)prop-2-enoyl]amino]hexyl]pentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)N(C(=O)C2=CC=CC=C2C(=O)NC(C)CS(=O)(=O)C)Cl

DOS

IR

Vibrations