Geometry & MOs

Info

ID:

128210

PubChem CID:

51035451

Reduced:

ON4F6C24H24 (1)

Stoich.:

AB4C6D24E24 (1)

Weight, g/mol:

573.342738

ΔHf, kcal/mol:

-275.88

Dipole, Da:

5.23

IP(EA), eV:

 -9.06(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,6R,7aS)-2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-7-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)CC4=CN=CN4

DOS

IR

Vibrations