Geometry & MOs

Info

ID:	191188
PubChem CID:	78116091
Reduced:	SF2O2N6C20H22 (1)
Stoich.:	AB2C2D6E20F22 (1)
Weight, g/mol:	430.158723
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	5.66
IP(EA), eV:	-8.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3H-1,3-benzothiazol-2-ylidene)-6-[(4-fluoropiperidin-3-yl)amino]-2-morpholin-4-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=O)C(=C3NC4=CC=CC=C4S3)C(=N2)NC5CC(CNC5)(F)F

DOS

IR

Vibrations