Geometry & MOs

Info

ID:	204864
PubChem CID:	80022501
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-79.4
Dipole, Da:	4.74
IP(EA), eV:	-8.96(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-3-[2-(sulfanylmethyl)pentyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C(=O)C1)CC(CS)C2=CC=CC=C2

DOS

IR

Vibrations