Geometry & MOs

Info

ID:	187188
PubChem CID:	77541732
Reduced:	ClF2N3O4C30H38 (1)
Stoich.:	AB2C3D4E30F38 (1)
Weight, g/mol:	366.976276
ΔH_f, kcal/mol:	-234.01
Dipole, Da:	7.85
IP(EA), eV:	-9.22(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(3,5-dichloro-3H-pyridin-4-ylidene)-2H-1,2-oxazol-3-yl]-3-nitrocyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCNCCC2=CC=C(C3=NC(=O)C=CC23)O)C(=O)CCOCCC4=C(C=C(C=C4)F)F.Cl

DOS

IR

Vibrations