Geometry & MOs

Info

ID:	314738
PubChem CID:	126622921
Reduced:	ClOF2N2C11H19 (1)
Stoich.:	ABC2D2E11F19 (1)
Weight, g/mol:	541.223766
ΔH_f, kcal/mol:	-193.36
Dipole, Da:	1.44
IP(EA), eV:	-9.33(0.86)
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-(6-cyclopropylpyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=C(C)C)F)NC(=O)[C@@H]1C[C@H](CN1)F.Cl

DOS

IR

Vibrations