Geometry & MOs

Info

ID:	170970
PubChem CID:	75307320
Reduced:	BFN3O5C34H39 (1)
Stoich.:	ABC3D5E34F39 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-260.48
Dipole, Da:	4.28
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-2H-1,2-oxazol-5-ylidene)imidazol-4-yl]butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC4=CC(=CC=C4)F)NC(=O)CC(C5=CC(=CC=C5)OC)NC(=O)C6=CN=CC=C6

DOS

IR

Vibrations