Geometry & MOs

Info

ID:	176799
PubChem CID:	76101380
Reduced:	SF3O3C17H23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	452.132731
ΔH_f, kcal/mol:	-308.86
Dipole, Da:	4.19
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[4-(1,3-dihydro-2-benzofuran-5-yl)-3-hydroxybut-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1(C(OC(O1)C(C)(C)C)(C2=CC=C(C=C2)SC)O)CC(F)(F)F

DOS

IR

Vibrations