Geometry & MOs

Info

ID:	179579
PubChem CID:	76502796
Reduced:	N2F3O6C38H43 (1)
Stoich.:	A2B3C6D38E43 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	-261.94
Dipole, Da:	4.61
IP(EA), eV:	-8.93(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[1-(2,6-diaminohexanoyl)imidazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3CC6CC6)OC(=O)C)C(=O)C=CC7=CC=C(C=C7)C(F)(F)F

DOS

IR

Vibrations