Geometry & MOs

Info

ID:	56257
PubChem CID:	17422875
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	284.038627
ΔH_f, kcal/mol:	-92.61
Dipole, Da:	2.37
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C=C1C(=O)OCC(=O)NCC3=CC=CO3

DOS

IR

Vibrations