Geometry & MOs

Info

ID:	146875
PubChem CID:	53764934
Reduced:	NSO5H7C10 (1)
Stoich.:	ABC5D7E10 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-147.12
Dipole, Da:	4.76
IP(EA), eV:	-10.42(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-en-6-ynyl]-5-oxocyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)NC2=O)S(=O)(=O)O

DOS

IR

Vibrations