Geometry & MOs

Info

ID:	235938
PubChem CID:	92711087
Reduced:	ClO2F3N4H16C23 (1)
Stoich.:	AB2C3D4E16F23 (1)
Weight, g/mol:	472.091388
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	4.41
IP(EA), eV:	-9.52(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-(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=CC=C4C(F)(F)F

DOS

IR

Vibrations