Geometry & MOs

Info

ID:	235937
PubChem CID:	92711085
Reduced:	ClFO2N4H16C22 (1)
Stoich.:	ABC2D4E16F22 (1)
Weight, g/mol:	472.091388
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	2.67
IP(EA), eV:	-9.08(-1.2)
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-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations