Geometry & MOs

Info

ID:	401939
PubChem CID:	135053440
Reduced:	SN2O3H26C30 (1)
Stoich.:	AB2C3D26E30 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	3.41
Dipole, Da:	5.83
IP(EA), eV:	-9.23(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-4-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N([C@@H](C=C(O2)CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations