Geometry & MOs

Info

ID:	314633
PubChem CID:	126622530
Reduced:	O2F3N8H23C27 (1)
Stoich.:	A2B3C8D23E27 (1)
Weight, g/mol:	284.097249
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	8.75
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-3-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(N=C(N=C2N1CC3=CC=C(C=C3)OC)C4=NC(=CC=C4)C(F)(F)F)NC5=CC(=NC=C5)NC(=O)C

DOS

IR

Vibrations