Geometry & MOs

Info

ID:	168186
PubChem CID:	74934703
Reduced:	NO5C14H29 (2)
Stoich.:	AB5C14D29 (2)
Weight, g/mol:	449.115908
ΔH_f, kcal/mol:	-513.6
Dipole, Da:	5.75
IP(EA), eV:	-8.91(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-4-oxobutanoic acid;phosphono 2-amino-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(C)CCCCCCCC=CC(CC(=O)O)C(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO

DOS

IR

Vibrations