Geometry & MOs

Info

ID:	431741
PubChem CID:	135171845
Reduced:	BrFO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	793.22437
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	5.17
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CC=CC=C2F)Br)OC

DOS

IR

Vibrations