Geometry & MOs

Info

ID:	402291
PubChem CID:	135055363
Reduced:	NSSiO3C25H39 (1)
Stoich.:	ABCD3E25F39 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-166.84
Dipole, Da:	7.46
IP(EA), eV:	-8.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(6Z,9Z,10aS)-5-oxo-2,3,8,10a-tetrahydro-1H-pyrrolo[1,2-a]azocin-7-yl]butanoate

Drug info:

PubChemData

Smile

C/C/1=C/2\CN([C@@H]([C@@H]2CC/C=C\C1)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations