Geometry & MOs

Info

ID:	170307
PubChem CID:	75215395
Reduced:	BrFSO4N5H11C15 (1)
Stoich.:	ABCD4E5F11G15 (1)
Weight, g/mol:	360.23006
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	4.89
IP(EA), eV:	-9.04(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3a,10-dimethyl-6-methylidene-2,9-dioxo-1-propan-2-ylidene-4,5,7,8,10,11,12,12a-octahydro-3H-cyclopenta[11]annulen-5-yl) acetate

Drug info:

PubChemData

Smile

CC(=NNS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F)C2=CN=C3N2C=C(C=C3)Br

DOS

IR

Vibrations