Geometry & MOs

Info

ID:	394681
PubChem CID:	135023496
Reduced:	NSCl2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	467.072485
ΔH_f, kcal/mol:	-124.17
Dipole, Da:	6.7
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations