Geometry & MOs

Info

ID:

214736

PubChem CID:

85083501

Reduced:

NSeO4C33H35 (1)

Stoich.:

ABC4D33E35 (1)

Weight, g/mol:

588.301996

ΔHf, kcal/mol:

-54.29

Dipole, Da:

3.98

IP(EA), eV:

 -9.01(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[11-[3-(diaminomethylideneamino)propyl]-3,12-dimethyl-4,7,10,13,16-pentaoxo-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)[Se]C3=CC=CC=C3)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations