Geometry & MOs

Info

ID:	57408
PubChem CID:	22395845
Reduced:	Cl2N2S2O5H20C23 (1)
Stoich.:	A2B2C2D5E20F23 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-155.48
Dipole, Da:	5.03
IP(EA), eV:	-8.94(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

C1CSC(N1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O

DOS

IR

Vibrations