Geometry & MOs

Info

ID:

431663

PubChem CID:

135171759

Reduced:

SF3O4N5C25H34 (1)

Stoich.:

AB3C4D5E25F34 (1)

Weight, g/mol:

662.236633

ΔHf, kcal/mol:

-285.55

Dipole, Da:

5.29

IP(EA), eV:

 -9.18(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-2-[3-acetyl-6-(diethoxyphosphorylmethoxy)-5-pyrimidin-5-ylindol-1-yl]-1-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)COC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations