Geometry & MOs

Info

ID:	178487
PubChem CID:	76336144
Reduced:	SN2O5C33H38 (1)
Stoich.:	AB2C5D33E38 (1)
Weight, g/mol:	498.182458
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	3.95
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,4R)-2-[[(3S)-1-acetylsulfanyl-2-oxo-5-phenylpentan-3-yl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)CSCCCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations