Geometry & MOs

Info

ID:

328208

PubChem CID:

126697661

Reduced:

ClFNO3H23C26 (1)

Stoich.:

ABCD3E23F26 (1)

Weight, g/mol:

513.174729

ΔHf, kcal/mol:

-93.89

Dipole, Da:

4.6

IP(EA), eV:

 -9.07(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2-[(3aS,4S,7R,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl]ethyl-[2-[(4R,7S,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl]ethyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1NC=C2C(=O)CC3=C(C=C(C=C3)Cl)OCCOCC4=CC=CC=C4)F

DOS

IR

Vibrations