Geometry & MOs

Info

ID:	320140
PubChem CID:	126658460
Reduced:	ClOF3N6H12C18 (1)
Stoich.:	ABC3D6E12F18 (1)
Weight, g/mol:	471.153858
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	8.55
IP(EA), eV:	-8.91(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(dimethylamino)propanoyloxy]adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CNC1=NC=C(C=C1)C2=C(C=C(C=C2)C(F)(F)F)OC3=NN4C(=NN=C4Cl)C=C3

DOS

IR

Vibrations