Geometry & MOs

Info

ID:	142000
PubChem CID:	52966358
Reduced:	F2S2N3O3C21H27 (1)
Stoich.:	A2B2C3D3E21F27 (1)
Weight, g/mol:	473.125455
ΔH_f, kcal/mol:	-196.77
Dipole, Da:	7.28
IP(EA), eV:	-9.15(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-4,6-difluoro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCN1C2C(CC(CC2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)F)F

DOS

IR

Vibrations