Geometry & MOs

Info

ID:	147029
PubChem CID:	53785870
Reduced:	N3O6C43H69 (1)
Stoich.:	A3B6C43D69 (1)
Weight, g/mol:	461.17039
ΔH_f, kcal/mol:	-189.68
Dipole, Da:	6.11
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(3-chloro-4-fluorophenoxy)butyl]piperidin-4-yl]-N-methyl-4H-3,1-benzothiazin-2-amine

Drug info:

PubChemData

Smile

CCC=CCCC(=O)C.CCC=CCCC(=O)OC(=O)CCC=CCC.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC(=C(C=C1CCN)O)O

DOS

IR

Vibrations