Geometry & MOs

Info

ID:	161290
PubChem CID:	57391273
Reduced:	SN2F3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-204.83
Dipole, Da:	4.84
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethylsulfonyl-N-(4-morpholin-4-ylphenyl)-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations