Geometry & MOs

Info

ID:	406195
PubChem CID:	135076857
Reduced:	NSO5C22H29 (1)
Stoich.:	ABC5D22E29 (1)
Weight, g/mol:	316.97213
ΔH_f, kcal/mol:	-209.87
Dipole, Da:	5.84
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)sulfonyl-3-methoxy-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)C(NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations