Geometry & MOs

Info

ID:	141999
PubChem CID:	52965973
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	471.14619
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	7.51
IP(EA), eV:	-9.35(-1.15)
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-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CN1C2CCC(CC2SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)[N+](=O)[O-]

DOS

IR

Vibrations