Geometry & MOs

Info

ID:	351119
PubChem CID:	127279677
Reduced:	S2N3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-99.48
Dipole, Da:	4.9
IP(EA), eV:	-9.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC2=C1SC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations