Geometry & MOs

Info

ID:	223732
PubChem CID:	85335492
Reduced:	ClSN4O5C24H29 (1)
Stoich.:	ABC4D5E24F29 (1)
Weight, g/mol:	520.153177
ΔH_f, kcal/mol:	-173.65
Dipole, Da:	8.34
IP(EA), eV:	-9.71(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-2-[[1-(4-hydroxybutyl)cyclopentanecarbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC(=O)N)CC1CC1)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

DOS

IR

Vibrations