Geometry & MOs

Info

ID:

191751

PubChem CID:

78184105

Reduced:

P2N8O15C27H49 (1)

Stoich.:

A2B8C15D27E49 (1)

Weight, g/mol:

786.271437

ΔHf, kcal/mol:

-711.54

Dipole, Da:

15.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.867768

Charge, e:

 0

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-1,4a,5,5a,6,7,8,9,9a,10a-decahydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)[NH+](C3C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC(=C5NC)CN)O)O)O)O)O

DOS

IR

Vibrations