Geometry & MOs

Info

ID:	146238
PubChem CID:	53658226
Reduced:	NSO7H21C23 (1)
Stoich.:	ABC7D21E23 (1)
Weight, g/mol:	159.125929
ΔH_f, kcal/mol:	-225.11
Dipole, Da:	4.86
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-amino-4-methylpentyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)COC(=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations