Geometry & MOs

Info

ID:	43269
PubChem CID:	10320504
Reduced:	OSC12H23 (2)
Stoich.:	ABC12D23 (2)
Weight, g/mol:	430.009882
ΔH_f, kcal/mol:	-182.76
Dipole, Da:	4.89
IP(EA), eV:	-9.42(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-N-[4-[(3E)-3-[6-oxo-2-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]-1,2-oxazol-5-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)SSC(=O)CCCCCCCCCCC

DOS

IR

Vibrations