Geometry & MOs

Info

ID:	177062
PubChem CID:	76132267
Reduced:	S2O5N6H21C23 (1)
Stoich.:	A2B5C6D21E23 (1)
Weight, g/mol:	286.178663
ΔH_f, kcal/mol:	-14.71
Dipole, Da:	11.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757549
Charge, e:	0

Chem-info

IUPAC name:

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4-trimethylcyclopentane-1-thione

Drug info:

PubChemData

Smile

CON=C(C1=NC(=CC=C1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC5=C(C=C4)C=CS5)C(=O)O

DOS

IR

Vibrations