Geometry & MOs

Info

ID:	24497
PubChem CID:	610607
Reduced:	NSO3H13C21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	359.061614
ΔH_f, kcal/mol:	10.58
Dipole, Da:	7.06
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1,3-benzoxazol-2-yl) 2-benzoylbenzenecarbothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)SC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations