Geometry & MOs

Info

ID:	63339
PubChem CID:	26750680
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	4.75
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC=C)OC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations