Geometry & MOs

Info

ID:	383108
PubChem CID:	134974654
Reduced:	NO4C18H29 (1)
Stoich.:	AB4C18D29 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	3.27
IP(EA), eV:	-9.74(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-ethylidene-2,2-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCCC#CC1C(O1)[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C

DOS

IR

Vibrations