Geometry & MOs

Info

ID:	151067
PubChem CID:	53790764
Reduced:	ClSN2O6H11C17 (1)
Stoich.:	ABC2D6E11F17 (1)
Weight, g/mol:	554.27405
ΔH_f, kcal/mol:	-187.41
Dipole, Da:	4.7
IP(EA), eV:	-10.0(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-amino-2-[[4-hydroxy-1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]pyrrolidin-3-yl]carbamoyl]-4-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=O)C=CC(=O)O

DOS

IR

Vibrations