Geometry & MOs

Info

ID:	1208
PubChem CID:	3989
Reduced:	O4N6C23H36 (1)
Stoich.:	A4B6C23D36 (1)
Weight, g/mol:	460.279804
ΔH_f, kcal/mol:	-168.05
Dipole, Da:	6.41
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations