Geometry & MOs

Info

ID:	27132
PubChem CID:	815154
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	337.07482
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	5.08
IP(EA), eV:	-9.04(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2CCC[C@@H](C2)C(=O)N3CCCC3

DOS

IR

Vibrations