Geometry & MOs

Info

ID:	390615
PubChem CID:	134999994
Reduced:	O3C10H18 (2)
Stoich.:	A3B10C18 (2)
Weight, g/mol:	509.19035
ΔH_f, kcal/mol:	-328.92
Dipole, Da:	2.34
IP(EA), eV:	-9.88(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-ethenyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-6-trimethoxysilylhex-3-enoate

Drug info:

PubChemData

Smile

CCCCCC[C@H](C(C(=O)OCC)C(=O)OCC)OC1CCC[C@@H](O1)C

DOS

IR

Vibrations