Geometry & MOs

Info

ID:	413226
PubChem CID:	135086173
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	335.98196
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	2.4
IP(EA), eV:	-9.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)ethenylsulfonyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC/C(=C\C2=CC=CC=C2)/C1=O

DOS

IR

Vibrations