Geometry & MOs

Info

ID:	300266
PubChem CID:	121270057
Reduced:	ClO3N5H26C27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	464.24215
ΔH_f, kcal/mol:	-7.4
Dipole, Da:	8.49
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[2-deuteriobutan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Cl)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CN(C5)C(=O)C6=C(C=CN=C6)OC)C

DOS

IR

Vibrations