Geometry & MOs

Info

ID:	379462
PubChem CID:	134434025
Reduced:	BrFNO2S2C19H21 (1)
Stoich.:	ABCD2E2F19G21 (1)
Weight, g/mol:	331.099714
ΔH_f, kcal/mol:	-63.33
Dipole, Da:	7.47
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene

Drug info:

PubChemData

Smile

CSOCCNC1CCC2=C(C1S(=O)C3=CC=C(C=C3)F)C=CC(=C2)Br

DOS

IR

Vibrations