Geometry & MOs

Info

ID:	300262
PubChem CID:	121270047
Reduced:	O3N7C25H27 (1)
Stoich.:	A3B7C25D27 (1)
Weight, g/mol:	451.221749
ΔH_f, kcal/mol:	14.61
Dipole, Da:	8.75
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[[2-deuteriopropan-2-yl-[4-(furan-2-yl)benzoyl]amino]methyl]pyridin-2-yl]oxyhexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=N2)OC)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CN(C5)C(=O)C6=CN(N=C6)C)C

DOS

IR

Vibrations