Geometry & MOs

Info

ID:	138366
PubChem CID:	52356474
Reduced:	FN3O5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	383.123439
ΔH_f, kcal/mol:	-185.82
Dipole, Da:	1.47
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)methyl-cyclopropyl-[(3-methyl-5-oxo-6,7,8,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)F)NC(=O)C)OC

DOS

IR

Vibrations