Geometry & MOs

Info

ID:	54585
PubChem CID:	17388942
Reduced:	FNS2O4H14C19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	502.169978
ΔH_f, kcal/mol:	-117.9
Dipole, Da:	6.51
IP(EA), eV:	-9.09(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-1-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-5-hydroxypentan-2-yl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)F

DOS

IR

Vibrations