Geometry & MOs

Info

ID:	41198
PubChem CID:	8145440
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	3.68
IP(EA), eV:	-8.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@@H]2CCCN2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

DOS

IR

Vibrations