Geometry & MOs

Info

ID:	7334
PubChem CID:	72179
Reduced:	NS2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	429.106851
ΔH_f, kcal/mol:	-127.65
Dipole, Da:	7.21
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-1-[(2R)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)O)SC3=CC=CC=C3

DOS

IR

Vibrations