Geometry & MOs

Info

ID:	223652
PubChem CID:	85335371
Reduced:	N2O3F6H20C22 (1)
Stoich.:	A2B3C6D20E22 (1)
Weight, g/mol:	474.120452
ΔH_f, kcal/mol:	-409.86
Dipole, Da:	5.94
IP(EA), eV:	-9.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[3-hydroxy-2-[3-hydroxy-4-[5-(methoxymethyl)thiophen-2-yl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetate

Drug info:

PubChemData

Smile

CC(=O)NC1CC(NC1=O)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations