Geometry & MOs

Info

ID:	341895
PubChem CID:	127264588
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	509.097187
ΔH_f, kcal/mol:	-146.99
Dipole, Da:	0.49
IP(EA), eV:	-9.4(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;2-[[4-[(2-amino-5-formyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C1=O)CCNCC2

DOS

IR

Vibrations