Geometry & MOs

Info

ID:	191891
PubChem CID:	78197919
Reduced:	N6O6C23H48 (1)
Stoich.:	A6B6C23D48 (1)
Weight, g/mol:	462.316583
ΔH_f, kcal/mol:	-318.57
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-amino-2-[[6-amino-2-[[2-(4-aminobutylamino)acetyl]amino]hexoxy]carbonylamino]hexyl] hydrogen carbonate

Drug info:

PubChemData

Smile

C(CCCN)CCCNCC(=O)NC(CCCCN)COC(=O)NC(CCCCN)COC(=O)O

DOS

IR

Vibrations