Geometry & MOs

Info

ID:	318078
PubChem CID:	126648897
Reduced:	OF2N5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	478.185235
ΔH_f, kcal/mol:	11.47
Dipole, Da:	3.82
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzylcarbamoyl(hydroxy)amino]-5-[4-(cyclohexanecarbonylamino)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CC(=C(C=C2)F)COC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations