Geometry & MOs

Info

ID:	54800
PubChem CID:	17389300
Reduced:	BrSN4O4H11C14 (1)
Stoich.:	ABC4D4E11F14 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	13.37
Dipole, Da:	14.83
IP(EA), eV:	-8.92(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SCC(=O)NN/C=C\2/C=C(C=C(C2=O)[N+](=O)[O-])Br

DOS

IR

Vibrations