Geometry & MOs

Info

ID:	67353
PubChem CID:	46506331
Reduced:	SN3O3H21C24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	435.125277
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	1.94
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethylphenyl)-5,6-dimethyl-1-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC4=CC=CC=C4C#N)SC(=C3C)C

DOS

IR

Vibrations