Geometry & MOs

Info

ID:	191657
PubChem CID:	78173572
Reduced:	PN5O7C12H18 (1)
Stoich.:	AB5C7D12E18 (1)
Weight, g/mol:	450.1114
ΔH_f, kcal/mol:	-309.86
Dipole, Da:	3.56
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)-1,4a,5,5a,6,7,8,9,9a,10a-decahydrobenzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O)O

DOS

IR

Vibrations