Geometry & MOs

Info

ID:	127367
PubChem CID:	51000356
Reduced:	ClNC8H18 (1)
Stoich.:	ABC8D18 (1)
Weight, g/mol:	246.970607
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	3.13
IP(EA), eV:	-9.3(1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(C)CC1(CC1)N.Cl

DOS

IR

Vibrations