Geometry & MOs

Info

ID:	182947
PubChem CID:	76961700
Reduced:	BrNOC20H32 (1)
Stoich.:	ABCD20E32 (1)
Weight, g/mol:	682.096352
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	10.66
IP(EA), eV:	-7.67(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(2S)-3-(3-carboxylato-2-oxochromen-8-yl)-2-methoxypropyl]mercury(1+);1,3-dimethyl-7H-purine-2,6-dione;hydroxide

Drug info:

PubChemData

Smile

C[N+]1(CCCC1)CC[C@@](C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

DOS

IR

Vibrations