Geometry & MOs

Info

ID:	326613
PubChem CID:	126687887
Reduced:	N3O5C24H37 (1)
Stoich.:	A3B5C24D37 (1)
Weight, g/mol:	448.26857
ΔH_f, kcal/mol:	-229.29
Dipole, Da:	2.66
IP(EA), eV:	-9.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclooctyl 2-[[(2S)-2-amino-2-[[(2R)-2-amino-4-phenylmethoxybutanoyl]amino]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(=O)OC1CCCCCCCC1)NC(=O)[C@@H](COCC2=CC=CC=C2)N

DOS

IR

Vibrations