Geometry & MOs

Info

ID:	402336
PubChem CID:	135055553
Reduced:	NSO2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	411.133814
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	5.98
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(2S)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC3=CC=CC=C32)CC(C)C

DOS

IR

Vibrations