Geometry & MOs

Info

ID:

314576

PubChem CID:

126622251

Reduced:

N3C21H25 (1)

Stoich.:

A3B21C25 (1)

Weight, g/mol:

737.161769

ΔHf, kcal/mol:

40.61

Dipole, Da:

2.15

IP(EA), eV:

 -8.61(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyl-1-[2-[(4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indol-6-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C2=CC=CC=C2N=C1N)C3=CC=CC(=C3)CN

DOS

IR

Vibrations