Geometry & MOs

Info

ID:	235921
PubChem CID:	92711053
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	402.149204
ΔH_f, kcal/mol:	47.3
Dipole, Da:	3.75
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-methylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)N[C@@H](C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations