Geometry & MOs

Info

ID:	141104
PubChem CID:	52818882
Reduced:	SF3N3O3H20C21 (1)
Stoich.:	AB3C3D3E20F21 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-257.05
Dipole, Da:	6.94
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[2-(1-adamantylamino)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CCC(=O)N3CCCC4=C3C=CC(=C4)OC(F)(F)F)C

DOS

IR

Vibrations