Geometry & MOs

Info

ID:	226584
PubChem CID:	87544238
Reduced:	N2O4F5H21C23 (1)
Stoich.:	A2B4C5D21E23 (1)
Weight, g/mol:	368.036854
ΔH_f, kcal/mol:	-331.2
Dipole, Da:	3.01
IP(EA), eV:	-9.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-hydroxy-6-nitro-4-[5-[4-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=CC(=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)N3C[C@H](N(C[C@@H]3C)C(=O)O)C

DOS

IR

Vibrations