Geometry & MOs

Info

ID:	136646
PubChem CID:	52077496
Reduced:	F2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	509.145442
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	1.61
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)F)F)C3=CC=CO3

DOS

IR

Vibrations