Geometry & MOs

Info

ID:	2315
PubChem CID:	6759
Reduced:	N4O6C17H20 (1)
Stoich.:	A4B6C17D20 (1)
Weight, g/mol:	376.138284
ΔH_f, kcal/mol:	-215.07
Dipole, Da:	8.39
IP(EA), eV:	-9.41(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](CO)O)O)O

DOS

IR

Vibrations