Geometry & MOs

Info

ID:	230242
PubChem CID:	87570507
Reduced:	SN3O4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	394.182334
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	2.57
IP(EA), eV:	-8.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-4-[(Z)-4-amino-2-fluorobut-2-enoxy]benzamide;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C(=O)COC(=S(=O)=O)C2CCCCN2.C1=CC=C2C=CC=CC2=C1

DOS

IR

Vibrations