Geometry & MOs

Info

ID:	173007
PubChem CID:	75582805
Reduced:	OF9H9C14 (1)
Stoich.:	AB9C9D14 (1)
Weight, g/mol:	466.107282
ΔH_f, kcal/mol:	-450.67
Dipole, Da:	4.22
IP(EA), eV:	-9.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations