Geometry & MOs

Info

ID:	404305
PubChem CID:	135065778
Reduced:	SN2F3O4H21C25 (1)
Stoich.:	AB2C3D4E21F25 (1)
Weight, g/mol:	354.044106
ΔH_f, kcal/mol:	-227.72
Dipole, Da:	8.73
IP(EA), eV:	-9.6(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-2-phenylethyl)-N-methyl-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@H](C1=CC=C(C=C1)C(F)(F)F)[C@@]2(C(=O)OC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations