Geometry & MOs

Info

ID:	44339
PubChem CID:	10502921
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	433.084007
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	2.54
IP(EA), eV:	-9.47(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-(1,3-dithian-2-yl)-1-oxo-3-phenylsulfanylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=C1)(C(=O)OC)N([C@@H](CO)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations