Geometry & MOs

Info

ID:	66545
PubChem CID:	46504765
Reduced:	BrClSN2O4H18C19 (1)
Stoich.:	ABCD2E4F18G19 (1)
Weight, g/mol:	444.03546
ΔH_f, kcal/mol:	-131.58
Dipole, Da:	14.79
IP(EA), eV:	-8.71(-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-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations