Geometry & MOs

Info

ID:	211762
PubChem CID:	81053632
Reduced:	FNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	291.078996
ΔH_f, kcal/mol:	-92.17
Dipole, Da:	4.51
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-diaminopyrimidin-2-yl)sulfanyl-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)O)SC2=CC=C(C=C2)F

DOS

IR

Vibrations