Geometry & MOs

Info

ID:	33263
PubChem CID:	7885714
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	347.9932
ΔH_f, kcal/mol:	-79.11
Dipole, Da:	4.14
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

DOS

IR

Vibrations