Geometry & MOs

Info

ID:	443138
PubChem CID:	135257832
Reduced:	SN2F5O7C31H31 (1)
Stoich.:	AB2C5D7E31F31 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-464.06
Dipole, Da:	12.4
IP(EA), eV:	-9.2(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[(2R)-2-hydroxyoctan-4-ylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CN([C@H](CCO)C(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations