Geometry & MOs

Info

ID:

185527

PubChem CID:

77310494

Reduced:

CuO10N12C30H50 (1)

Stoich.:

AB10C12D30E50 (1)

Weight, g/mol:

570.241127

ΔHf, kcal/mol:

-279.04

Dipole, Da:

31.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771115

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(2-amino-4-oxo-4aH-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;3-(diaminomethylidene)-1,1-dimethylguanidine

Drug info:

PubChemData

Smile

C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)C(CO)N.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)[O-])NC(=O)C(CO)N.[Cu+2]

DOS

IR

Vibrations