Geometry & MOs

Info

ID:	240351
PubChem CID:	93577949
Reduced:	FNSO4C20H24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	431.21303
ΔH_f, kcal/mol:	-171.28
Dipole, Da:	4.17
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-tert-butylphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=C(C=C2)F)C[C@@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations