Geometry & MOs

Info

ID:	150540
PubChem CID:	53790233
Reduced:	ClNOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	276.9778
ΔH_f, kcal/mol:	49.15
Dipole, Da:	1.52
IP(EA), eV:	-9.0(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C(C)C)C(=S)C2=C(ON=C2)C3CC3)Cl

DOS

IR

Vibrations