Geometry & MOs

Info

ID:	39567
PubChem CID:	8141387
Reduced:	S2N3O3H13C18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	397.019098
ΔH_f, kcal/mol:	9.31
Dipole, Da:	3.13
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations