Geometry & MOs

Info

ID:	57489
PubChem CID:	22396036
Reduced:	SN4O6H30C31 (1)
Stoich.:	AB4C6D30E31 (1)
Weight, g/mol:	472.03297
ΔH_f, kcal/mol:	-169.94
Dipole, Da:	8.48
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)O

DOS

IR

Vibrations