Geometry & MOs

Info

ID:	38341
PubChem CID:	8030944
Reduced:	ClNO5H12C22 (1)
Stoich.:	ABC5D12E22 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	3.43
IP(EA), eV:	-9.04(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C3=CC(=O)OC4=C3C=C(C=C4)Cl)NC(=O)C5=CC=CO5

DOS

IR

Vibrations