Geometry & MOs

Info

ID:	60916
PubChem CID:	26703087
Reduced:	ClN2O6H19C24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	418.050254
ΔH_f, kcal/mol:	-168.01
Dipole, Da:	6.96
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

DOS

IR

Vibrations