Geometry & MOs

Info

ID:	30051
PubChem CID:	839363
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	3.3
IP(EA), eV:	-9.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(2-methylphenyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)S(=O)(=O)NC2=CC=CC=N2

DOS

IR

Vibrations