Geometry & MOs

Info

ID:	240544
PubChem CID:	93581341
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	517.132587
ΔH_f, kcal/mol:	-154.67
Dipole, Da:	4.83
IP(EA), eV:	-9.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[[5-(3-chlorophenyl)furan-2-yl]methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CCN([C@@H](C)COC)S(=O)(=O)C1=CC(=C(C=C1)O)N

DOS

IR

Vibrations