Geometry & MOs

Info

ID:	142028
PubChem CID:	52969589
Reduced:	SN2O2C15H26 (1)
Stoich.:	AB2C2D15E26 (1)
Weight, g/mol:	396.151907
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	6.57
IP(EA), eV:	-9.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-4-fluoro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CCCC(=O)N=C1N(C2C(CCC(C2S1)C)OC)CC

DOS

IR

Vibrations