Geometry & MOs

Info

ID:	157760
PubChem CID:	56437028
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	6.12
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-2-phenylmethoxyphenyl)-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCCNC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations