Geometry & MOs

Info

ID:	194508
PubChem CID:	78546582
Reduced:	NCl2F2O3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	379.216772
ΔH_f, kcal/mol:	-191.39
Dipole, Da:	4.62
IP(EA), eV:	-9.51(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[5-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NC(=O)COC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations