Geometry & MOs

Info

ID:	66540
PubChem CID:	46504760
Reduced:	BrSN2F3O5H18C20 (1)
Stoich.:	ABC2D3E5F18G20 (1)
Weight, g/mol:	547.11404
ΔH_f, kcal/mol:	-322.88
Dipole, Da:	3.66
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-1-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)Br

DOS

IR

Vibrations