Geometry & MOs

Info

ID:	445490
PubChem CID:	135267377
Reduced:	SO3N4C10H14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	6.33
IP(EA), eV:	-9.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-7,7a-dimethyl-7H-1,2-benzoxazole

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1C2=NC=C(C=N2)CC(=O)N

DOS

IR

Vibrations