Geometry & MOs

Info

ID:	83489
PubChem CID:	49857652
Reduced:	NSO2C27H29 (1)
Stoich.:	ABC2D27E29 (1)
Weight, g/mol:	471.05038
ΔH_f, kcal/mol:	-18.48
Dipole, Da:	5.89
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-bromophenyl)-1-hydroxybut-3-enyl]phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1C=C([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C(C)C)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations