Geometry & MOs

Info

ID:	189791
PubChem CID:	77906501
Reduced:	BrNSO3H20C24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	481.03473
ΔH_f, kcal/mol:	-19.17
Dipole, Da:	8.89
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromophenyl)-[(2R,3R)-3-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=CC=CC=C32)C=C)C(=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations