Geometry & MOs

Info

ID:	390741
PubChem CID:	135000673
Reduced:	BrSH19C20 (1)
Stoich.:	ABC19D20 (1)
Weight, g/mol:	437.32938
ΔH_f, kcal/mol:	46.87
Dipole, Da:	1.88
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[benzyl-[(1R)-1-phenylethyl]amino]decanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)CC)Br

DOS

IR

Vibrations