Geometry & MOs

Info

ID:	397007
PubChem CID:	135029592
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	389.073106
ΔH_f, kcal/mol:	3.36
Dipole, Da:	3.38
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2R,3S)-1,1,1-trifluoro-3-phenylsulfanylbutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2C(C1)C(=NO2)C(=O)NC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations