Geometry & MOs

Info

ID:	59334
PubChem CID:	24810264
Reduced:	OC14H18 (2)
Stoich.:	AB14C18 (2)
Weight, g/mol:	436.029382
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	3.59
IP(EA), eV:	-9.33(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-chloro-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C\2CCC1(C(/C2=C/C3=CC=C(C=C3)/C=C/4\C5CCC(C4=O)(C5(C)C)C)O)C)C

DOS

IR

Vibrations