Geometry & MOs

Info

ID:	60137
PubChem CID:	26675754
Reduced:	SN3O7C21H23 (1)
Stoich.:	AB3C7D21E23 (1)
Weight, g/mol:	366.083827
ΔH_f, kcal/mol:	-238.64
Dipole, Da:	5.41
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyanophenyl)methyl]-4-fluoro-N-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations