Geometry & MOs

Info

ID:	390466
PubChem CID:	134999294
Reduced:	NSO5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	4.42
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-3-methyl-2-(phenylmethoxymethyl)-5-propan-2-yl-2,5-dihydro-1H-pyrrole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=NO2)CS(=O)(=O)O

DOS

IR

Vibrations