Geometry & MOs

Info

ID:	240369
PubChem CID:	93578013
Reduced:	ClNSO5C24H26 (1)
Stoich.:	ABCD5E24F26 (1)
Weight, g/mol:	475.122022
ΔH_f, kcal/mol:	-141.38
Dipole, Da:	4.76
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[5-(3-chlorophenyl)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=CC(=CC=C3)Cl)C[C@H](COC4=CC=CC=C4)O

DOS

IR

Vibrations