Geometry & MOs

Info

ID:	314946
PubChem CID:	126623999
Reduced:	FNO3C6H8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	516.228517
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	7.06
IP(EA), eV:	-10.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R,4R)-4-fluoro-2-[(1R)-1-hydroxy-2-(6-methylpyridin-2-yl)ethyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C=O)C(=O)O)F

DOS

IR

Vibrations