Geometry & MOs

Info

ID:	154531
PubChem CID:	56313988
Reduced:	SN2F3O5C19H27 (1)
Stoich.:	AB2C3D5E19F27 (1)
Weight, g/mol:	422.145342
ΔH_f, kcal/mol:	-361.03
Dipole, Da:	5.09
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-1,3-benzoxazol-5-yl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCCC2CNS(=O)(=O)C)OCC(F)(F)F

DOS

IR

Vibrations