Geometry & MOs

Info

ID:	166637
PubChem CID:	74719506
Reduced:	SF3N6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	288.048367
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	2.65
IP(EA), eV:	-8.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-acetamido-3-[4-(trifluoromethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CC(N2C(=N1)C(CN2)C3=NNC(=S)N3C(C)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations