Geometry & MOs

Info

ID:	245489
PubChem CID:	99445253
Reduced:	FSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	379.140671
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	3.2
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-ethyl-N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)COC)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations