Geometry & MOs

Info

ID:	169776
PubChem CID:	75146001
Reduced:	SO7C15H16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	454.181647
ΔH_f, kcal/mol:	-210.16
Dipole, Da:	2.71
IP(EA), eV:	-8.76(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,5-difluorophenyl)-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methyl-1,2,4-oxadiazol-4-yl]ethanol

Drug info:

PubChemData

Smile

C1CC2C(CC1O)OC=C(C2=O)C3=CC(=C(C=C3)O)S(=O)(=O)O

DOS

IR

Vibrations