Geometry & MOs

Info

ID:	234741
PubChem CID:	92303415
Reduced:	SO3N5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	268.063011
ΔH_f, kcal/mol:	-72.19
Dipole, Da:	11.41
IP(EA), eV:	-9.51(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,2S)-1,2-dihydroxypropyl]-2-methylsulfanyl-1H-pteridin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NC(=O)CCCCSC1=NC=NC2=C1NC=N2

DOS

IR

Vibrations