Geometry & MOs

Info

ID:	48330
PubChem CID:	10538949
Reduced:	O2S2N3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	-32.08
Dipole, Da:	8.74
IP(EA), eV:	-9.05(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-yl)-2-phenylethanethiol

Drug info:

PubChemData

Smile

CC1=NC2=C(SC(=C2C(=N1)N)SC)C(=O)O

DOS

IR

Vibrations