Geometry & MOs

Info

ID:	133804
PubChem CID:	51590942
Reduced:	N2O2C14H21 (1)
Stoich.:	A2B2C14D21 (1)
Weight, g/mol:	483.00526
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	5.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.917156
Charge, e:	-1

Chem-info

IUPAC name:

[4-[(2R,4E)-4-[(4-bromo-3-nitrophenyl)methylidene]-5-oxo-1,3-oxazolidin-2-yl]anilino]-(1,2,4-triazol-3-ylidene)methanolate

Drug info:

PubChemData

Smile

C1CC2(CC[NH+](CC2)CC3=COC=C3)C(=O)NC1

DOS

IR

Vibrations