Geometry & MOs

Info

ID:	390839
PubChem CID:	135001189
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	2.86
IP(EA), eV:	-9.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CCOC(=O)C(C#N)([C@H](CC(C)C)CC(=O)NC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2

DOS

IR

Vibrations