Geometry & MOs

Info

ID:	216932
PubChem CID:	85087004
Reduced:	NSO6C13H19 (1)
Stoich.:	ABC6D13E19 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-271.15
Dipole, Da:	3.6
IP(EA), eV:	-8.78(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-4-(3-oxocyclopentyl)pent-2-enamide

Drug info:

PubChemData

Smile

CC(=O)OC1CN2CCSC2C(C1OC(=O)C)OC(=O)C

DOS

IR

Vibrations