Geometry & MOs

Info

ID:	55777
PubChem CID:	17396492
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	307.104228
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	3.73
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC=CC(=C3)CN4CCCC4=O

DOS

IR

Vibrations