Geometry & MOs

Info

ID:	342879
PubChem CID:	127266042
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	6.04
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylpropan-2-yl)-3-[2-(methylsulfonylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC2=C(C=CC=N2)NC(=O)NOC(C)(C)CO)C

DOS

IR

Vibrations