Geometry & MOs

Info

ID:

191615

PubChem CID:

78168716

Reduced:

N9O9C41H69 (1)

Stoich.:

A9B9C41D69 (1)

Weight, g/mol:

789.270791

ΔHf, kcal/mol:

-457.53

Dipole, Da:

9.6

IP(EA), eV:

 -9.43(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[5-[5-[4-[1-(2-amino-5,7-dimethyl-4-oxo-1,4a,6,7-tetrahydropteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl 1,3-dicarboxypropyl phosphate

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=CC=C1)NCC(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(C)N)N

DOS

IR

Vibrations