Geometry & MOs

Info

ID:	297965
PubChem CID:	117636688
Reduced:	NO15C27H45 (1)
Stoich.:	AB15C27D45 (1)
Weight, g/mol:	283.091669
ΔH_f, kcal/mol:	-721.03
Dipole, Da:	4.35
IP(EA), eV:	-10.02(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-hydroxy-8-(hydroxymethyl)-5,5a,7,8,9a,10-hexahydro-1H-pyrano[3,2-g]pteridine-4,6-dione

Drug info:

PubChemData

Smile

CCCCO[C@H]1[C@H](C([C@@H](C(O1)CO)O)O[C@@H]([C@H](C)OC(=O)C)OC(COC(=O)C)[C@@H](COC(=O)C)OC(=O)C)NC(=O)C

DOS

IR

Vibrations