Geometry & MOs

Info

ID:	189644
PubChem CID:	77884838
Reduced:	ClS2N4O8C21H25 (1)
Stoich.:	AB2C4D8E21F25 (1)
Weight, g/mol:	561.366553
ΔH_f, kcal/mol:	-300.28
Dipole, Da:	8.87
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[2-(7-cyanohept-1-enyl)-5-oxocyclopentyl]-2,2-bis(oxan-2-yloxy)heptanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)NS(=O)(=O)C)C(=O)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)O

DOS

IR

Vibrations