Geometry & MOs

Info

ID:	169806
PubChem CID:	75152235
Reduced:	N6O17C44H56 (1)
Stoich.:	A6B17C44D56 (1)
Weight, g/mol:	222.033811
ΔH_f, kcal/mol:	-627.34
Dipole, Da:	7.14
IP(EA), eV:	-8.88(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diamino-3-fluoropentanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N.CC1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.O

DOS

IR

Vibrations