Geometry & MOs

Info

ID:	419799
PubChem CID:	135109072
Reduced:	F2O4N7C26H29 (1)
Stoich.:	A2B4C7D26E29 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	-156.54
Dipole, Da:	4.55
IP(EA), eV:	-9.56(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-phenoxyfuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)C4=C(C=C(C=N4)F)F

DOS

IR

Vibrations