Geometry & MOs

Info

ID:	35630
PubChem CID:	7980118
Reduced:	BrNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	387.140533
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	5.85
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations