Geometry & MOs

Info

ID:	233993
PubChem CID:	92297487
Reduced:	SN4O5C18H32 (1)
Stoich.:	AB4C5D18E32 (1)
Weight, g/mol:	349.062008
ΔH_f, kcal/mol:	-237.63
Dipole, Da:	6.89
IP(EA), eV:	-9.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-[3-[(2R)-1-ethoxy-1-oxopropan-2-yl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3CCCC3

DOS

IR

Vibrations