Geometry & MOs

Info

ID:	393479
PubChem CID:	135020734
Reduced:	BSN2O2C17H21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	458.194707
ΔH_f, kcal/mol:	-110.08
Dipole, Da:	3.89
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[tert-butyl(dimethyl)silyl]-1-hex-5-ynyl-5-methoxy-2,2-dioxo-3,9-dihydrobenzo[f][2]benzothiol-3-ol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CSC3=NC=CC=N3

DOS

IR

Vibrations