Geometry & MOs

Info

ID:	234440
PubChem CID:	92298440
Reduced:	ClOSH13C15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	1.27
Dipole, Da:	0.7
IP(EA), eV:	-8.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-oxo-1-phenyl-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC(=CC=C1)Cl)SC2=CC=CC=C2

DOS

IR

Vibrations