Geometry & MOs

Info

ID:	66590
PubChem CID:	46504864
Reduced:	BrSN2O3C16H21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	402.02489
ΔH_f, kcal/mol:	-105.12
Dipole, Da:	9.64
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-6-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCCCC3)Br

DOS

IR

Vibrations