Geometry & MOs

Info

ID:	57456
PubChem CID:	22395966
Reduced:	SCl2N2O5C21H22 (1)
Stoich.:	AB2C2D5E21F22 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	8.89
IP(EA), eV:	-9.42(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations