Geometry & MOs

Info

ID:	38455
PubChem CID:	8091468
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	390.146308
ΔH_f, kcal/mol:	-102.19
Dipole, Da:	4.01
IP(EA), eV:	-9.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[[(2R)-2-[(2S)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanoyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2COC3(N2C(=O)C4=CC=CC=C4)CCCCC3

DOS

IR

Vibrations