Geometry & MOs

Info

ID:	61777
PubChem CID:	26712809
Reduced:	BrN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	4.85
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CC2=CC=C(C=C2)OCC3=C(ON=C3C)C

DOS

IR

Vibrations