Geometry & MOs

Info

ID:	240491
PubChem CID:	93580941
Reduced:	FNSO5C21H24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	477.182124
ΔH_f, kcal/mol:	-203.77
Dipole, Da:	6.48
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-3-[(3,4-dimethoxyphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC(=CC=C2)F)C[C@@H](COC3=CC=CC=C3C=O)O

DOS

IR

Vibrations