Geometry & MOs

Info

ID:	394679
PubChem CID:	135023494
Reduced:	NSO4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	433.111457
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	5.18
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R)-1-benzyl-4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CN(C[C@H]1/C=C/S(=O)(=O)C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations