Geometry & MOs

Info

ID:	7312
PubChem CID:	72109
Reduced:	O5C24H38 (1)
Stoich.:	A5B24C38 (1)
Weight, g/mol:	406.271924
ΔH_f, kcal/mol:	-226.55
Dipole, Da:	3.86
IP(EA), eV:	-9.82(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(1R,3R,5S)-2-[(3S)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

COC(=O)CCCC=CC[C@H]1[C@H](C[C@H](C1C#C[C@H](CCC2CCCCC2)O)O)O

DOS

IR

Vibrations