Geometry & MOs

Info

ID:	338629
PubChem CID:	127259640
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	416.152478
ΔH_f, kcal/mol:	25.11
Dipole, Da:	5.69
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)/C=N/NC(=S)N

DOS

IR

Vibrations