Geometry & MOs

Info

ID:	57476
PubChem CID:	22396015
Reduced:	SN2O6C20H32 (1)
Stoich.:	AB2C6D20E32 (1)
Weight, g/mol:	510.129457
ΔH_f, kcal/mol:	-249.71
Dipole, Da:	7.86
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC1CC(CCN1S(=O)(=O)C2=CC(=C(C=C2)OC)OC)C

DOS

IR

Vibrations