Geometry & MOs

Info

ID:	244544
PubChem CID:	99364883
Reduced:	ClN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	387.98811
ΔH_f, kcal/mol:	-72.83
Dipole, Da:	3.37
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromothiophen-2-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=NOC(=C2)C3=CC=CC=C3)OCC

DOS

IR

Vibrations