Geometry & MOs

Info

ID:	143845
PubChem CID:	53268645
Reduced:	BrSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	410.108899
ΔH_f, kcal/mol:	-70.54
Dipole, Da:	8.47
IP(EA), eV:	-8.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-2-(3-phenylmethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=C/C(=C/2\NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2)/C=C(C1=O)Br

DOS

IR

Vibrations