Geometry & MOs

Info

ID:	393048
PubChem CID:	135019142
Reduced:	SN2O2H19C22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	501.178752
ΔH_f, kcal/mol:	63.3
Dipole, Da:	7.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.933786
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (2S,3R)-4-oxo-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=[C+]NC4=CC=CC=C43

DOS

IR

Vibrations