Geometry & MOs

Info

ID:	189790
PubChem CID:	77906013
Reduced:	F3N5O9C33H40 (1)
Stoich.:	A3B5C9D33E40 (1)
Weight, g/mol:	481.03473
ΔH_f, kcal/mol:	-501.18
Dipole, Da:	5.76
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(COCC3=CC=CC=C3)C(=O)N4CCCC4C(=O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations