Geometry & MOs

Info

ID:

325636

PubChem CID:

126684285

Reduced:

NO4S4C31H53 (1)

Stoich.:

AB4C4D31E53 (1)

Weight, g/mol:

596.307081

ΔHf, kcal/mol:

-233.71

Dipole, Da:

2.36

IP(EA), eV:

 -8.6(-1.2)

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-[[1-(3,3-dimethylbutoxy)-2-methylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(CC(C)(C)C(C)C(C)(C)C(=O)OCCSSC1=CC=CC=N1)C(=O)OCCSSCCC(C)(C)C

DOS

IR

Vibrations