Geometry & MOs

Info

ID:	83488
PubChem CID:	49857651
Reduced:	NSO3C27H31 (1)
Stoich.:	ABC3D27E31 (1)
Weight, g/mol:	431.1919
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	4.54
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-methyl-1-(4-methylphenyl)sulfonyl-3-(4-phenylphenyl)-2-propan-2-yl-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)[C@@](CC=C)(C2=CC=C(C=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations