Geometry & MOs

Info

ID:	173069
PubChem CID:	75592438
Reduced:	F2N2O7H16C17 (1)
Stoich.:	A2B2C7D16E17 (1)
Weight, g/mol:	396.154135
ΔH_f, kcal/mol:	-360.75
Dipole, Da:	3.35
IP(EA), eV:	-9.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(1-adamantyl)-1,3-thiazol-4-yl]methyl-methylamino]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CN1C(=O)C2C(C1=O)C(NC2C3=CC4=C(C=C3)OC(O4)(F)F)(CO)C(=O)OC

DOS

IR

Vibrations