Geometry & MOs

Info

ID:	157978
PubChem CID:	56459367
Reduced:	BrNOSF3H11C15 (1)
Stoich.:	ABCDE3F11G15 (1)
Weight, g/mol:	363.144613
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	3.46
IP(EA), eV:	-9.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[4-(ethoxymethyl)phenyl]methyl]-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C(=O)NCC2=CC=C(S2)Br)/C(F)(F)F

DOS

IR

Vibrations