Geometry & MOs

Info

ID:	149147
PubChem CID:	53788819
Reduced:	N6H20C31 (1)
Stoich.:	A6B20C31 (1)
Weight, g/mol:	254.028266
ΔH_f, kcal/mol:	192.79
Dipole, Da:	3.52
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=C(C4=C(C=C3)NC(=N4)C5=NC6=CC=CC=C6N5)C7=NC8=CC=CC=C8N7

DOS

IR

Vibrations