Geometry & MOs

Info

ID:	186277
PubChem CID:	77413408
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-88.05
Dipole, Da:	5.88
IP(EA), eV:	-9.59(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-hex-1-enyl-5-oxocyclopentyl)hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1(CN2C(C(=O)C2=O)SC1)CSC3=CN=NN3C

DOS

IR

Vibrations