Geometry & MOs

Info

ID:	142002
PubChem CID:	52966360
Reduced:	F2S2N3O3C20H25 (1)
Stoich.:	A2B2C3D3E20F25 (1)
Weight, g/mol:	479.191249
ΔH_f, kcal/mol:	-191.96
Dipole, Da:	9.76
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide

Drug info:

PubChemData

Smile

CCN1C2C(CC(CC2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)F)F

DOS

IR

Vibrations