Geometry & MOs

Info

ID:	1209
PubChem CID:	3990
Reduced:	N5O5C21H35 (1)
Stoich.:	A5B5C21D35 (1)
Weight, g/mol:	437.263819
ΔH_f, kcal/mol:	-225.06
Dipole, Da:	6.62
IP(EA), eV:	-9.03(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N)O

DOS

IR

Vibrations