Geometry & MOs

Info

ID:	11970
PubChem CID:	124626
Reduced:	SN4O5C16H20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	380.115441
ΔH_f, kcal/mol:	-188.27
Dipole, Da:	9.75
IP(EA), eV:	-7.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)N(C(=O)N3)CCCS(=O)(=O)O)C

DOS

IR

Vibrations