Geometry & MOs

Info

ID:	139011
PubChem CID:	52457359
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	364.041032
ΔH_f, kcal/mol:	-121.34
Dipole, Da:	2.93
IP(EA), eV:	-8.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,4R)-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)N2CCCCCC2)N3CCCCC3=O

DOS

IR

Vibrations