Geometry & MOs

Info

ID:	175327
PubChem CID:	75883317
Reduced:	ClN2O4H23C26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	444.20605
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	7.15
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=CC=C3)Cl

DOS

IR

Vibrations