Geometry & MOs

Info

ID:	395107
PubChem CID:	135024675
Reduced:	ON2H37C39 (1)
Stoich.:	AB2C37D39 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	93.08
Dipole, Da:	2.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.853415
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-2-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1CC2[C@@H](C3=CC=NC4=CC=CC=C34)OCC5=CC=CC=C5)CC6=C7C=CC=CC7=CC8=CC=CC=C86

DOS

IR

Vibrations