Geometry & MOs

Info

ID:	326614
PubChem CID:	126687888
Reduced:	N4O5C23H36 (1)
Stoich.:	A4B5C23D36 (1)
Weight, g/mol:	687.493485
ΔH_f, kcal/mol:	-215.68
Dipole, Da:	4.85
IP(EA), eV:	-9.36(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclononyl 2-[[(2S)-2-amino-2-[[(2R)-3-phenylmethoxy-2-(tetradecylcarbamoylamino)propanoyl]amino]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1CCCC(CCC1)OC(=O)CNC(=O)[C@@H](N)NC(=O)[C@@H](CCOCC2=CC=CC=C2)N

DOS

IR

Vibrations