Geometry & MOs

Info

ID:	218742
PubChem CID:	85089896
Reduced:	NO4C13H17 (2)
Stoich.:	AB4C13D17 (2)
Weight, g/mol:	502.275112
ΔH_f, kcal/mol:	-311.21
Dipole, Da:	4.75
IP(EA), eV:	-8.07(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-carboxybutanoyl]amino]propanoylamino]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C(C(C1OC)C(=O)OC)CC(=O)OC)C=NCCC2=CNC3=C2C=CC(=C3)OC

DOS

IR

Vibrations