Geometry & MOs

Info

ID:

437154

PubChem CID:

135215316

Reduced:

O9C12H20 (1)

Stoich.:

A9B12C20 (1)

Weight, g/mol:

773.298032

ΔHf, kcal/mol:

-401.29

Dipole, Da:

7.55

IP(EA), eV:

 -10.4(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[[4-[[(4S)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]methoxy]-4-oxobutanoyl]amino]ethylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CO[C@H]1C(C(OC(C1O)OC)COC(=O)CCC(=O)O)O

DOS

IR

Vibrations