Geometry & MOs

Info

ID:	245322
PubChem CID:	99443294
Reduced:	FSO3N4H23C25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	478.14749
ΔH_f, kcal/mol:	-50.91
Dipole, Da:	7.1
IP(EA), eV:	-9.23(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C=CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)F

DOS

IR

Vibrations