Geometry & MOs

Info

ID:	142047
PubChem CID:	52972179
Reduced:	FN2S2O3C20H25 (1)
Stoich.:	AB2C2D3E20F25 (1)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	-139.37
Dipole, Da:	4.66
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-3,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CN1C2CC3C(CC2SC1=NC(=O)CCCSC4=CC=C(C=C4)F)OCCO3

DOS

IR

Vibrations