Geometry & MOs

Info

ID:	444812
PubChem CID:	135263632
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	580.146821
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	3.08
IP(EA), eV:	-8.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]pyrazol-3-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(COC1=CC=C(C=C1)O)N2CCN(CC2)C(C)(C)C

DOS

IR

Vibrations