Geometry & MOs

Info

ID:	133002
PubChem CID:	51460486
Reduced:	OBr2N2H16C22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	79.24
Dipole, Da:	2.38
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[2-[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinyl]-N-[2-(4-methoxyphenyl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

C1[C@H]2C3=C(C(=CC(=C3)Br)Br)O[C@H](N2N=C1C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations