Geometry & MOs

Info

ID:	308455
PubChem CID:	125333154
Reduced:	SN6H12C14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	469.9426
ΔH_f, kcal/mol:	175.51
Dipole, Da:	1.61
IP(EA), eV:	-9.36(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-bromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

CC1=NN=C(C1)C2=NN=C3N2N=C(S3)CC4=CC=CC=C4

DOS

IR

Vibrations