Geometry & MOs

Info

ID:	26818
PubChem CID:	798801
Reduced:	BrOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	6.08
Dipole, Da:	3.4
IP(EA), eV:	-9.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations