Geometry & MOs

Info

ID:	196046
PubChem CID:	78772014
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	373.091869
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	12.28
IP(EA), eV:	-8.84(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-4-ylpropyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)/C=C(/C#N)\C(=O)NC2=NC(=CS2)C(=O)OCC)C

DOS

IR

Vibrations