Geometry & MOs

Info

ID:	62833
PubChem CID:	26737087
Reduced:	N5O5C13H15 (1)
Stoich.:	A5B5C13D15 (1)
Weight, g/mol:	300.056863
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	3.93
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-4-[(2-methylsulfanylanilino)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](O1)[C@H](O[C@@H]2C(=O)O)N3C=NC4=C(N=CN=C43)N)C

DOS

IR

Vibrations