Geometry & MOs

Info

ID:	357272
PubChem CID:	127293905
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	345.09364
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	2.14
IP(EA), eV:	-9.3(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)NC2=CC=CC=C2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations