Geometry & MOs

Info

ID:	397105
PubChem CID:	135029741
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	548.96432
ΔH_f, kcal/mol:	66.35
Dipole, Da:	4.86
IP(EA), eV:	-9.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-bromo-1-(2-bromo-3,4,5-trimethoxyphenyl)but-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC[C@@]([C@H](C1)N=[N+]=[N-])(C2=CC=CC=C2)Cl

DOS

IR

Vibrations