Geometry & MOs

Info

ID:	125248
PubChem CID:	50916881
Reduced:	ClSF3O4H8C10 (1)
Stoich.:	ABC3D4E8F10 (1)
Weight, g/mol:	524.280395
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	3.92
IP(EA), eV:	-8.8(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[diethoxyphosphoryl-(4-methylphenyl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2[S+]1C(F)(F)F.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations