Geometry & MOs

Info

ID:	391475
PubChem CID:	135005543
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	494.07289
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	10.39
IP(EA), eV:	-8.74(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 2-[(1R)-1-(2-bromophenyl)-3-oxopropyl]propanedioate

Drug info:

PubChemData

Smile

CC(=O)NCC=CCSCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

DOS

IR

Vibrations