Geometry & MOs

Info

ID:

437644

PubChem CID:

135226751

Reduced:

FN5O5C30H42 (1)

Stoich.:

AB5C5D30E42 (1)

Weight, g/mol:

605.337733

ΔHf, kcal/mol:

-243.33

Dipole, Da:

5.21

IP(EA), eV:

 -8.55(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[(2S)-1-amino-3-[4-(5-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)-2-fluorophenyl]-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)N[C@@H](CC3=C(C=C(C=C3)N4CC5CCN(C5C4)C6COC6)F)C(=O)N

DOS

IR

Vibrations