Geometry & MOs

Info

ID:	307108
PubChem CID:	125267599
Reduced:	ClFSO4N5H23C27 (1)
Stoich.:	ABCD4E5F23G27 (1)
Weight, g/mol:	445.08619
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	3.5
IP(EA), eV:	-9.41(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(6-bromo-1H-indazol-3-yl)-N-[(3S)-3-(2-methylpropyl)-3H-1,2,4-triazol-5-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N=C2N=N[C@@H](S2)CC(=O)N/N=C\C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4F)OC

DOS

IR

Vibrations