Geometry & MOs

Info

ID:	67246
PubChem CID:	46506133
Reduced:	BrSN2O4C18H25 (1)
Stoich.:	ABC2D4E18F25 (1)
Weight, g/mol:	456.07184
ΔH_f, kcal/mol:	-162.07
Dipole, Da:	5.53
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations