Geometry & MOs

Info

ID:	406764
PubChem CID:	135078548
Reduced:	NO13C22H29 (1)
Stoich.:	AB13C22D29 (1)
Weight, g/mol:	311.035847
ΔH_f, kcal/mol:	-491.99
Dipole, Da:	5.33
IP(EA), eV:	-10.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,S)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]([C@H]([C@@H]([C@@H](C1C2C=CC(C1[N+](=O)[O-])(O2)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations