Geometry & MOs

Info

ID:	142563
PubChem CID:	53058406
Reduced:	ON3H11C13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	454.155352
ΔH_f, kcal/mol:	90.43
Dipole, Da:	10.2
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)C3=CN(C=N3)CC4=CC=C(C=C4)NC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations