Geometry & MOs

Info

ID:	221653
PubChem CID:	85285830
Reduced:	F3N4O4C8H14 (2)
Stoich.:	A3B4C4D8E14 (2)
Weight, g/mol:	346.207701
ΔH_f, kcal/mol:	-603.95
Dipole, Da:	9.12
IP(EA), eV:	-10.57(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-methylamino]pentanamide

Drug info:

PubChemData

Smile

CN(C(CCC[NH3+])C(=O)N)C(=O)C(CCCN=C(N)N[N+](=O)[O-])[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations