Geometry & MOs

Info

ID:

431535

PubChem CID:

135171623

Reduced:

PN3O6C21H24 (1)

Stoich.:

AB3C6D21E24 (1)

Weight, g/mol:

763.213805

ΔHf, kcal/mol:

-249.25

Dipole, Da:

3.55

IP(EA), eV:

 -9.3(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-6-diethoxyphosphoryl-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)O)C3=CN=C(N=C3)C)OCC

DOS

IR

Vibrations