Geometry & MOs

Info

ID:	78807
PubChem CID:	49733145
Reduced:	SF2O2N4C18H18 (1)
Stoich.:	AB2C2D4E18F18 (1)
Weight, g/mol:	406.127503
ΔH_f, kcal/mol:	-98.63
Dipole, Da:	1.58
IP(EA), eV:	-9.45(-1.04)
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-ethyl-5-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)N2CCC(CC2)OC3=NC4=C(C=C(C=C4S3)F)F)C

DOS

IR

Vibrations