Geometry & MOs

Info

ID:	235942
PubChem CID:	92711102
Reduced:	ClN4O4H19C24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	448.093833
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	1.94
IP(EA), eV:	-8.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC(=O)N[C@@H](C3=CC=C(C=C3)Cl)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations