Geometry & MOs

Info

ID:	176729
PubChem CID:	76089309
Reduced:	SN4O8C27H32 (1)
Stoich.:	AB4C8D27E32 (1)
Weight, g/mol:	306.018303
ΔH_f, kcal/mol:	-220.12
Dipole, Da:	11.13
IP(EA), eV:	-8.78(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[5-chloro-3-(trifluoromethyl)-3H-pyridin-6-ylidene]-5-fluorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=C(O3)C=CC(=C4)OC

DOS

IR

Vibrations