Geometry & MOs

Info

ID:	147630
PubChem CID:	53787286
Reduced:	ClSN2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	22.46
Dipole, Da:	7.69
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R)-3-cyano-2-[(3R)-3-hydroxy-7-methylocta-1,6-dienyl]-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(CC1=CN=C(C=C1)Cl)C(=S)NC

DOS

IR

Vibrations