Geometry & MOs

Info

ID:	231992
PubChem CID:	87575080
Reduced:	ClSN3O5H16C21 (1)
Stoich.:	ABC3D5E16F21 (1)
Weight, g/mol:	306.128736
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	3.28
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)O.C1=CC=C(C=C1)OC(=O)Cl

DOS

IR

Vibrations