Geometry & MOs

Info

ID:	68810
PubChem CID:	46509136
Reduced:	SF2O3N4H22C25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	456.10486
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	4.26
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(3-bromo-1-adamantyl)acetyl]amino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations