Geometry & MOs

Info

ID:	231125
PubChem CID:	87572710
Reduced:	NO4C21H34 (1)
Stoich.:	AB4C21D34 (1)
Weight, g/mol:	440.361408
ΔH_f, kcal/mol:	-117.2
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755956
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl (2S)-2-amino-5-(hexadecanoylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[N+]1(CC1CC2=CC=CC=C2)CCOOC(C)(C)C

DOS

IR

Vibrations