Geometry & MOs

Info

ID:	142033
PubChem CID:	52970424
Reduced:	FN2S2O4C18H23 (1)
Stoich.:	AB2C2D4E18F23 (1)
Weight, g/mol:	421.076613
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	8.58
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-N-(6-nitro-3-prop-2-ynyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)benzamide

Drug info:

PubChemData

Smile

CCOC1CCCC2C1N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)F)S2)C

DOS

IR

Vibrations