Geometry & MOs

Info

ID:	223534
PubChem CID:	85335194
Reduced:	SO2N4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	416.169116
ΔH_f, kcal/mol:	113.74
Dipole, Da:	7.59
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-(4-cyclopentyl-3-hydroxybut-1-enyl)-3-hydroxy-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC3=NC(=O)C(=CC32)C4=CSC(=N4)C5=CC=NC=C5

DOS

IR

Vibrations