Geometry & MOs

Info

ID:	235915
PubChem CID:	92711045
Reduced:	BrO2N4H17C22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	48.84
Dipole, Da:	3.48
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-3-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)[C@H](C3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations