Geometry & MOs

Info

ID:	235943
PubChem CID:	92711103
Reduced:	ClN4O4H17C23 (1)
Stoich.:	AB4C4D17E23 (1)
Weight, g/mol:	448.093833
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	1.46
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)N[C@H](C3=CC=C(C=C3)Cl)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations