Geometry & MOs

Info

ID:	240367
PubChem CID:	93578003
Reduced:	NSCl2O5C24H25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	509.08305
ΔH_f, kcal/mol:	-150.3
Dipole, Da:	4.29
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[5-(2,5-dichlorophenyl)furan-2-yl]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(O2)C3=C(C=CC(=C3)Cl)Cl)C[C@H](COC4=CC=CC=C4)O

DOS

IR

Vibrations