Geometry & MOs

Info

ID:	141355
PubChem CID:	52865529
Reduced:	ClSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	12.58
Dipole, Da:	8.02
IP(EA), eV:	-9.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypropyl)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl)C)[N+](=O)[O-]

DOS

IR

Vibrations