Geometry & MOs

Info

ID:	33240
PubChem CID:	7885587
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	2.87
IP(EA), eV:	-8.94(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C

DOS

IR

Vibrations