Geometry & MOs

Info

ID:	387155
PubChem CID:	134984218
Reduced:	PReO2H30C37 (1)
Stoich.:	ABC2D30E37 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	285.37
Dipole, Da:	4.43
IP(EA), eV:	-7.24(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C23CC2[P+](C(=[C-]3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[C-]#[O+].[C-]#[O+].C1=C[CH]C=C1.[Re]

DOS

IR

Vibrations