Geometry & MOs

Info

ID:	43550
PubChem CID:	10321458
Reduced:	NSiO2C11H18 (2)
Stoich.:	ABC2D11E18 (2)
Weight, g/mol:	447.971925
ΔH_f, kcal/mol:	-228.72
Dipole, Da:	5.64
IP(EA), eV:	-8.74(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC)N1[C@H]([C@@H](C1=O)N2[Si](CC[Si]2(C)C)(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations