Geometry & MOs

Info

ID:	231768
PubChem CID:	87574621
Reduced:	S2N5O5H21C26 (1)
Stoich.:	A2B5C5D21E26 (1)
Weight, g/mol:	258.128736
ΔH_f, kcal/mol:	-35.15
Dipole, Da:	7.78
IP(EA), eV:	-9.03(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[dimethyl(2-methylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC(=CC(=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)OC

DOS

IR

Vibrations