Geometry & MOs

Info

ID:	138414
PubChem CID:	52363365
Reduced:	NSF3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	308.123287
ΔH_f, kcal/mol:	-275.86
Dipole, Da:	5.32
IP(EA), eV:	-9.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[(N-ethyl-3-fluoroanilino)methyl]-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(CC(=O)OC)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations