Geometry & MOs

Info

ID:	139847
PubChem CID:	52606783
Reduced:	ClFSN3O3C21H21 (1)
Stoich.:	ABCD3E3F21G21 (1)
Weight, g/mol:	470.188482
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	1.61
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations