Geometry & MOs

Info

ID:

15397

PubChem CID:

440359

Reduced:

N8O12C25H36 (1)

Stoich.:

A8B12C25D36 (1)

Weight, g/mol:

640.245269

ΔHf, kcal/mol:

-476.83

Dipole, Da:

4.27

IP(EA), eV:

 -8.18(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-4-amino-5-[[2-amino-6-[1,2-bis[[(2S)-2-amino-4-carboxybutanoyl]oxy]propyl]-5-methyl-8H-pteridin-4-yl]oxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(C1=CNC2=C(N1C)C(=NC(=N2)N)OC(=O)[C@H](CCC(=O)O)N)OC(=O)[C@H](CCC(=O)O)N)OC(=O)[C@H](CCC(=O)O)N

DOS

IR

Vibrations