Geometry & MOs

Info

ID:	144062
PubChem CID:	53306777
Reduced:	BrClO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	468.05071
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	2.5
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(5-bromo-1H-indol-3-yl)-(4-methylphenyl)methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C(\CCC=O)/Cl)/Br

DOS

IR

Vibrations