Geometry & MOs

Info

ID:	49312
PubChem CID:	11532793
Reduced:	ON2C14H20 (2)
Stoich.:	AB2C14D20 (2)
Weight, g/mol:	464.114973
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	2.71
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1R,2R)-2-[(E)-5-(1-benzothiophen-2-yl)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2(CCC(CC2)NC(=O)CCC(=O)N(C)CCC3=CC=CC=N3)N(C)C

DOS

IR

Vibrations