Geometry & MOs

Info

ID:	170726
PubChem CID:	75271465
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	484.165465
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	5.57
IP(EA), eV:	-8.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,7-dioxo-2-piperidin-1-ium-1-ylidene-6-prop-2-enyl-7aH-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2CCC3=NC4=C(C=C(C=C4)F)C(=O)C3C2

DOS

IR

Vibrations