Geometry & MOs

Info

ID:	20776
PubChem CID:	585642
Reduced:	NSO3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	285.045964
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	5.49
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations