Geometry & MOs

Info

ID:	138507
PubChem CID:	52376612
Reduced:	O2N4C7H7 (1)
Stoich.:	A2B4C7D7 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	19.32
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992258
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(2,5-dimethylfuran-3-yl)-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

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C[C@@H](C1=NC2=C(C=NN2)N=C1[O-])O

DOS

IR

Vibrations