Geometry & MOs

Info

ID:

191750

PubChem CID:

78184104

Reduced:

NO15C41H69 (1)

Stoich.:

AB15C41D69 (1)

Weight, g/mol:

787.279262

ΔHf, kcal/mol:

-707.35

Dipole, Da:

6.67

IP(EA), eV:

 -8.87(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[[5-[4-(aminomethyl)-5-(methylamino)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4-dioxo-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCC(=O)OC(C)C(C)C(C(C)C(=O)C1(CO1)CC(C)C(C(C)COC2CC(C(C(O2)C)OC(=O)C)OC)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations