Geometry & MOs

Info

ID:	314747
PubChem CID:	126622979
Reduced:	OSN3F4C10H11 (1)
Stoich.:	ABC3D4E10F11 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-224.01
Dipole, Da:	4.54
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=NC(=CS2)CC(F)(F)F)F

DOS

IR

Vibrations