Geometry & MOs

Info

ID:	73683
PubChem CID:	48420001
Reduced:	OSBr2N3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	404.044296
ΔH_f, kcal/mol:	22.71
Dipole, Da:	1.29
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dichlorophenyl)hydrazinyl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)C(=O)NCC2=CC(=CS2)Br)C

DOS

IR

Vibrations