Geometry & MOs

Info

ID:	178889
PubChem CID:	76397321
Reduced:	BrO2N4H9C10 (2)
Stoich.:	AB2C4D9E10 (2)
Weight, g/mol:	397.97246
ΔH_f, kcal/mol:	65.16
Dipole, Da:	6.93
IP(EA), eV:	-9.12(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-2-phenyl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NNC=C3C=C(C=C(C3=O)Br)Br)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations