Geometry & MOs

Info

ID:	314676
PubChem CID:	126622687
Reduced:	BrClON2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	602.164473
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	2.48
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-N-[3-[(E)-2-(4-chloro-1H-benzimidazol-2-yl)ethenyl]-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1NC(=O)N2)Cl)Br

DOS

IR

Vibrations