Geometry & MOs

Info

ID:	440736
PubChem CID:	135231225
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	425.065712
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	7.63
IP(EA), eV:	-8.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-oxazol-5-ylmethyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=C1C=CC=C2N3CC4(CCC5(CC4)C6=CC=CC=C6N5C)NC3=O

DOS

IR

Vibrations