Geometry & MOs

Info

ID:	44315
PubChem CID:	10502683
Reduced:	NSCl3O3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	428.121063
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	11.05
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-1-methoxy-3-methyl-7-trimethylsilyloxy-5,6,7,12-tetrahydrobenzo[a]anthracene-8,11-dione

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=C1NC3=C(S2(=O)=O)C=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations