Geometry & MOs

Info

ID:	78806
PubChem CID:	49732850
Reduced:	F2N2S2O4C23H24 (1)
Stoich.:	A2B2C2D4E23F24 (1)
Weight, g/mol:	392.111853
ΔH_f, kcal/mol:	-206.26
Dipole, Da:	5.48
IP(EA), eV:	-9.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CCC(CC2)OC3=NC4=C(C=C(C=C4S3)F)F

DOS

IR

Vibrations