Geometry & MOs

Info

ID:	57437
PubChem CID:	22395926
Reduced:	SCl2N2O5C22H24 (1)
Stoich.:	AB2C2D5E22F24 (1)
Weight, g/mol:	564.100096
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	8.79
IP(EA), eV:	-9.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylimidazol-4-yl)-2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations