Geometry & MOs

Info

ID:	66701
PubChem CID:	46505089
Reduced:	SBr2N2O3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	448.04563
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	9.65
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-2-methyl-N-phenyl-N-prop-2-enyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3=CC(=C(C=C3)Br)C)Br

DOS

IR

Vibrations