Geometry & MOs

Info

ID:	53169
PubChem CID:	14709692
Reduced:	ClS2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	27.58
Dipole, Da:	1.63
IP(EA), eV:	-8.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)urea

Drug info:

PubChemData

Smile

C1C(SC2=C(S1)C3=CC=CC=C3C=C2)CCl

DOS

IR

Vibrations