Geometry & MOs

Info

ID:	67228
PubChem CID:	46506100
Reduced:	BrFSN2O4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	514.07732
ΔH_f, kcal/mol:	-175.38
Dipole, Da:	13.47
IP(EA), eV:	-9.23(-1.1)
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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCC3=CC=C(C=C3)F)Br

DOS

IR

Vibrations