Geometry & MOs

Info

ID:

170903

PubChem CID:

75296767

Reduced:

FN3O4C23H28 (1)

Stoich.:

AB3C4D23E28 (1)

Weight, g/mol:

558.211449

ΔHf, kcal/mol:

-67.66

Dipole, Da:

4.99

IP(EA), eV:

 -9.56(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-oxo-1-phenyl-2-[3-[(7-phenylmethoxy-1,3-benzodioxole-5-carbonyl)amino]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]ethyl] acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)N5C(=CN=N5)C6=CC=C(C=C6)F)C

DOS

IR

Vibrations