Geometry & MOs

Info

ID:	220658
PubChem CID:	85201045
Reduced:	NF3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	540.125017
ΔH_f, kcal/mol:	-266.88
Dipole, Da:	2.54
IP(EA), eV:	-9.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(carboxymethyl)-3,6-dioxopiperazin-2-yl]propyl-[4-(diaminomethylideneamino)benzoyl]azanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCC(=CC(=O)OCC)C1=CC(=CC=C1)OCC2=C(OC(=N2)C3=CC=C(C=C3)C(F)(F)F)C

DOS

IR

Vibrations