Geometry & MOs

Info

ID:	300306
PubChem CID:	121270285
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	450.2265
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	8.73
IP(EA), eV:	-8.71(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2-deuteriopropan-2-yl-[[4-(furan-2-yl)phenyl]methyl]carbamoyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=N2)OC)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CN(C5)C(=O)O)C

DOS

IR

Vibrations