Geometry & MOs

Info

ID:	391122
PubChem CID:	135002944
Reduced:	SO5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	395.119129
ΔH_f, kcal/mol:	-208.05
Dipole, Da:	6.09
IP(EA), eV:	-10.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-amino-5-(1-methoxy-1-oxo-3-phenylpropan-2-yl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]([C@H](CC[C@@H]1S(=O)(=O)C2=CC=CC=C2)C(=O)OC)O

DOS

IR

Vibrations