Geometry & MOs

Info

ID:	405019
PubChem CID:	135072135
Reduced:	O8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	427.148485
ΔH_f, kcal/mol:	-282.27
Dipole, Da:	3.05
IP(EA), eV:	-10.04(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-methoxy-2-[(4-methylphenyl)sulfonyl-trimethylsilylamino]-4-oxohex-5-enoate

Drug info:

PubChemData

Smile

CC1(C(OC(C(O1)C(=O)OCCC=C)C(=O)OCC#C)(C)OC)OC

DOS

IR

Vibrations