Geometry & MOs

Info

ID:	235936
PubChem CID:	92711084
Reduced:	ClN4O4H21C24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	422.094582
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	3.13
IP(EA), eV:	-8.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)N[C@H](C2=CC=C(C=C2)Cl)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations