Geometry & MOs

Info

ID:	194374
PubChem CID:	78525226
Reduced:	N2F3O4H13C15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	413.105034
ΔH_f, kcal/mol:	-285.53
Dipole, Da:	5.71
IP(EA), eV:	-10.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl] 3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C(=O)COC(=O)C=CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations