Geometry & MOs

Info

ID:	57488
PubChem CID:	22396035
Reduced:	FCl2N2S2O5H17C18 (1)
Stoich.:	AB2C2D2E5F17G18 (1)
Weight, g/mol:	586.188606
ΔH_f, kcal/mol:	-213.13
Dipole, Da:	2.93
IP(EA), eV:	-9.69(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-2-yl-2-[[1-[4-(phenylcarbamoylamino)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=C(S2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations