Geometry & MOs

Info

ID:	130778
PubChem CID:	51106051
Reduced:	SN2F3O5C11H11 (1)
Stoich.:	AB2C3D5E11F11 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	-331.54
Dipole, Da:	10.78
IP(EA), eV:	-9.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-phenyltetrazol-2-yl)propyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)COC1=CC=CC=C1S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations