Geometry & MOs

Info

ID:	351145
PubChem CID:	127279703
Reduced:	FSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	348.09662
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	3.86
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=C3C=CSC3=NC=N2)C(=O)NC4CCOC5=C4C=CC=C5F

DOS

IR

Vibrations