Geometry & MOs

Info

ID:	402185
PubChem CID:	135054794
Reduced:	NSO3C22H31 (1)
Stoich.:	ABC3D22E31 (1)
Weight, g/mol:	382.196421
ΔH_f, kcal/mol:	-135.72
Dipole, Da:	4.99
IP(EA), eV:	-9.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-benzoyl-5-(2-triethylsilylethynyl)cyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](C3(C2=O)CCCCCC3)C4CCCCC4

DOS

IR

Vibrations