Geometry & MOs

Info

ID:	391523
PubChem CID:	135006190
Reduced:	PSO2H19C22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	435.207944
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	5.2
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,5R)-5-(3,3-dimethyl-2-oxobutyl)-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(C(=O)C2=CC=CC=C2S1)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations