Geometry & MOs

Info

ID:	229675
PubChem CID:	87568407
Reduced:	FN3O5H27C31 (1)
Stoich.:	AB3C5D27E31 (1)
Weight, g/mol:	503.101476
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	0.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754360
Charge, e:	0

Chem-info

IUPAC name:

acetyl 1-[[4-chloro-3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)[N+](CCOC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)(COC5=CC=C(C=C5)F)C=O

DOS

IR

Vibrations