Geometry & MOs

Info

ID:	314672
PubChem CID:	126622627
Reduced:	OF2N7H19C24 (1)
Stoich.:	AB2C7D19E24 (1)
Weight, g/mol:	361.107399
ΔH_f, kcal/mol:	29.57
Dipole, Da:	6.78
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=NC(=C3C(=N2)N(C=N3)CC4=CC=C(C=C4)OC)NC5=C(C=NC=C5)F)F

DOS

IR

Vibrations