Geometry & MOs

Info

ID:	83055
PubChem CID:	49857075
Reduced:	NO4C19H32 (2)
Stoich.:	AB4C19D32 (2)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-428.33
Dipole, Da:	4.51
IP(EA), eV:	-9.26(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonylpyrrolidine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]1[C@@H](CCCC=C)C(=O)OC)CCCCC[C@H]([C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C=C)C(=O)OC

DOS

IR

Vibrations