Geometry & MOs

Info

ID:	156218
PubChem CID:	56369648
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	459.128649
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	3.33
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations