Geometry & MOs

Info

ID:	308139
PubChem CID:	125317120
Reduced:	ClN4O6C34H37 (1)
Stoich.:	AB4C6D34E37 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	-132.99
Dipole, Da:	2.9
IP(EA), eV:	-8.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1H-indazol-3-yl)-5-oxo-N-[(3S)-3-propan-2-yl-3H-1,2,4-triazol-5-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=C2C=C(C=CC2=NC1)Cl)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations