Geometry & MOs

Info

ID:	197858
PubChem CID:	79007327
Reduced:	NSC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	25.7
Dipole, Da:	1.5
IP(EA), eV:	-8.79(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-methyl-2-(1-phenylbutan-2-ylamino)butanoate

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)NC(C)CC2=CC=CS2

DOS

IR

Vibrations