Geometry & MOs

Info

ID:	245321
PubChem CID:	99443293
Reduced:	ClFSN2O3H16C18 (1)
Stoich.:	ABCD2E3F16G18 (1)
Weight, g/mol:	478.14749
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	6.88
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(N=C1C2=CC=CC=C2)C(=O)CS(=O)(=O)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations