Geometry & MOs

Info

ID:

189586

PubChem CID:

77876664

Reduced:

N2O7C30H36 (1)

Stoich.:

A2B7C30D36 (1)

Weight, g/mol:

612.205726

ΔHf, kcal/mol:

-278.6

Dipole, Da:

6.47

IP(EA), eV:

 -9.56(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-aminobutyl)-4-[[4-[(2-amino-4-oxo-4a,7-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;phosphoric acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1CCCN1C(=O)CCC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations