Geometry & MOs

Info

ID:	185286
PubChem CID:	77281580
Reduced:	SN4O6C24H28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	290.029603
ΔH_f, kcal/mol:	-202.37
Dipole, Da:	7.33
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-methyl-5-pyridin-4-ylsulfanyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCCCCC2=CC3C(=NC(=NC3=O)N)S2)C(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations