Geometry & MOs

Info

ID:	66743
PubChem CID:	46505184
Reduced:	BrSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	568.09105
ΔH_f, kcal/mol:	-84.11
Dipole, Da:	3.38
IP(EA), eV:	-8.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)Br

DOS

IR

Vibrations