Geometry & MOs

Info

ID:

398690

PubChem CID:

135034835

Reduced:

F2N3H5C9 (1)

Stoich.:

A2B3C5D9 (1)

Weight, g/mol:

1763.783148

ΔHf, kcal/mol:

-9.63

Dipole, Da:

3.39

IP(EA), eV:

-10.24(-1.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3aR,5S,6R,6aR)-6-[[3-[[(3aR,5S,6R,6aR)-5-[[3,5-bis[[(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]carbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-5-aminophenyl]methoxy]-N-[3,5-bis[[(3aR,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]phenyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C2=CN=CN=C2)F)F

DOS

IR

Vibrations