Geometry & MOs

Info

ID:	240541
PubChem CID:	93581338
Reduced:	ClSN2O3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	517.132587
ΔH_f, kcal/mol:	-120.93
Dipole, Da:	3.82
IP(EA), eV:	-9.12(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-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)Cl)N

DOS

IR

Vibrations