Geometry & MOs

Info

ID:	219423
PubChem CID:	85148642
Reduced:	SO6C29H30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	506.187543
ΔH_f, kcal/mol:	-175.44
Dipole, Da:	3.74
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[(2-hydroxy-1-phenylethyl)amino]-2-methylsulfanyl-4-oxoazetidin-1-yl]-2-(4-phenylmethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCSC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations