Geometry & MOs

Info

ID:	317542
PubChem CID:	126643197
Reduced:	ClFON2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	624.09545
ΔH_f, kcal/mol:	-83.67
Dipole, Da:	4.45
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=CC(=CC=C2)Cl)F

DOS

IR

Vibrations