Geometry & MOs

Info

ID:

57259

PubChem CID:

22395550

Reduced:

SN9O11C36H51 (1)

Stoich.:

AB9C11D36E51 (1)

Weight, g/mol:

473.165896

ΔHf, kcal/mol:

-482.7

Dipole, Da:

8.15

IP(EA), eV:

 -8.93(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(3-amino-1,9-dioxo-3,4,6,6a,7,10a-hexahydro-2H-imidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CS)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CCCN3C(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations