Geometry & MOs

Info

ID:	394680
PubChem CID:	135023495
Reduced:	ClNSO4C22H24 (1)
Stoich.:	ABCD4E22F24 (1)
Weight, g/mol:	467.072485
ΔH_f, kcal/mol:	-118.89
Dipole, Da:	5.81
IP(EA), eV:	-9.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations