Geometry & MOs

Info

ID:	178486
PubChem CID:	76336143
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	574.250144
ΔH_f, kcal/mol:	-183.63
Dipole, Da:	3.73
IP(EA), eV:	-9.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S,4R)-4-hydroxy-2-[[(3S)-2-oxo-5-phenyl-1-(3-phenylpropylsulfanyl)pentan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C1)NC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)C(=O)CO

DOS

IR

Vibrations