Geometry & MOs

Info

ID:

59395

PubChem CID:

24853114

Reduced:

FON5H24C25 (1)

Stoich.:

ABC5D24E25 (1)

Weight, g/mol:

728.303299

ΔHf, kcal/mol:

47.01

Dipole, Da:

9.2

IP(EA), eV:

 -8.46(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[4-[(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yloxycarbonylamino)-[(2,4,5-trifluorophenyl)methyl]amino]-3-hydroxy-1-(4-pyridin-3-ylphenyl)butan-2-yl]carbamoyl]-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/C3=NN4CCCC(C4=N3)C5=CC=CC=C5F)OC

DOS

IR

Vibrations