Geometry & MOs

Info

ID:	214376
PubChem CID:	84981768
Reduced:	FSO3N5C19H26 (1)
Stoich.:	ABC3D5E19F26 (1)
Weight, g/mol:	416.188212
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	7.16
IP(EA), eV:	-8.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-methylheptylcarbamothioylamino)carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)CN1C(=O)OC(=N1)C2=CC=C(C=C2)F

DOS

IR

Vibrations