Geometry & MOs

Info

ID:	395109
PubChem CID:	135024677
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	409.090328
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	5.83
IP(EA), eV:	-9.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CCCCC3=C[C@H]2C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations