Geometry & MOs

Info

ID:

84164

PubChem CID:

49864690

Reduced:

ClON3C21H26 (1)

Stoich.:

ABC3D21E26 (1)

Weight, g/mol:

792.199007

ΔHf, kcal/mol:

-10.66

Dipole, Da:

4.57

IP(EA), eV:

 -8.35(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4R,6R,6aR)-4-(3-carbamoyl-1,2,4-triazol-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 2-[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC(=C1)N2CCN(CC2)C)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations