Geometry & MOs

Info

ID:	142004
PubChem CID:	52967586
Reduced:	FSN2O3C23H33 (1)
Stoich.:	ABC2D3E23F33 (1)
Weight, g/mol:	408.11775
ΔH_f, kcal/mol:	-167.2
Dipole, Da:	2.01
IP(EA), eV:	-8.77(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylsulfonyl-3-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3CCC(CC3S2)F)CCOCC

DOS

IR

Vibrations