Geometry & MOs

Info

ID:	183651
PubChem CID:	77048562
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	21.27
Dipole, Da:	2.78
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carbonyl)azetidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=NO)N)OC2=CC(=CN=C2)Cl

DOS

IR

Vibrations