Geometry & MOs

Info

ID:	165522
PubChem CID:	74561231
Reduced:	O2S2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	445.034411
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	2.4
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[3-[4-oxido-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazol-5-ylidene]-2-oxoindol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=C2C3=C(CCCC3)SC2=N1)[NH2+]C(CCSC)C(=O)[O-]

DOS

IR

Vibrations