Geometry & MOs

Info

ID:	299873
PubChem CID:	117792948
Reduced:	SO2N3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	6.94
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-7-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1CN(C1)C2=NC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations