Geometry & MOs

Info

ID:	314753
PubChem CID:	126623001
Reduced:	BrClON3C12H17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	560.150572
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	4.14
IP(EA), eV:	-9.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1)C(=O)NC2=C(C=CC(=N2)Br)C.Cl

DOS

IR

Vibrations