Geometry & MOs

Info

ID:	245271
PubChem CID:	99443238
Reduced:	ClNSO3F4H12C16 (1)
Stoich.:	ABCD3E4F12G16 (1)
Weight, g/mol:	496.204531
ΔH_f, kcal/mol:	-293.24
Dipole, Da:	7.36
IP(EA), eV:	-9.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CS(=O)(=O)CC2=C(C=C(C=C2)F)Cl)C(F)(F)F

DOS

IR

Vibrations