Geometry & MOs

Info

ID:	904
PubChem CID:	3509
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-217.49
Dipole, Da:	4.51
IP(EA), eV:	-9.63(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-4-amino-6-[2-phenylethyl(propyl)carbamoyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CCC1=CC=CC=C1)C(=O)C2C(C(CC(O2)C(=O)O)N)NC(=O)C

DOS

IR

Vibrations