Geometry & MOs

Info

ID:	48329
PubChem CID:	10538948
Reduced:	NOPSC12H18 (1)
Stoich.:	ABCDE12F18 (1)
Weight, g/mol:	255.013619
ΔH_f, kcal/mol:	-81.61
Dipole, Da:	3.21
IP(EA), eV:	-9.21(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-5-methylsulfanylthieno[3,4-d]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C([C@H]2[C@H](C[C@@H]1[P@]2(=S)OC(C)C)C#N)C

DOS

IR

Vibrations