Geometry & MOs

Info

ID:	226601
PubChem CID:	87544337
Reduced:	SN2F3O5C26H29 (1)
Stoich.:	AB2C3D5E26F29 (1)
Weight, g/mol:	381.057255
ΔH_f, kcal/mol:	-340.63
Dipole, Da:	9.56
IP(EA), eV:	-8.89(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-hydroxy-4-[5-[6-methyl-4-(trifluoromethyl)pyridin-3-yl]-1,2-oxazol-3-ylidene]-6-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1(C/C(=C/C(=O)NC2=C3CCS(=O)(=O)N(C3=CC=C2)CCO)/C4=C(O1)C=C(C=C4)C(F)(F)F)CC

DOS

IR

Vibrations