Geometry & MOs

Info

ID:	39516
PubChem CID:	8141129
Reduced:	SN2F3O3H11C18 (1)
Stoich.:	AB2C3D3E11F18 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-181.27
Dipole, Da:	0.64
IP(EA), eV:	-8.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations