Geometry & MOs

Info

ID:	217108
PubChem CID:	85087269
Reduced:	N3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	333.132471
ΔH_f, kcal/mol:	-16.44
Dipole, Da:	8.71
IP(EA), eV:	-9.76(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(hydroxyamino)-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1C(C(C(=O)NC1C2=CC=CC=C2O)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations