Geometry & MOs

Info

ID:	22172
PubChem CID:	596150
Reduced:	NSO2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	281.05105
ΔH_f, kcal/mol:	32.79
Dipole, Da:	2.61
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C=CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations