Geometry & MOs

Info

ID:	233226
PubChem CID:	89449369
Reduced:	ClSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	481.201083
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	5.22
IP(EA), eV:	-9.34(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-[[(1S,2S)-2-hydroxycyclohexyl]amino]-5-[[1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylidene]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@H](N(C1)C(=O)C2=CC3=NC=CC(=C3S2)Cl)CO

DOS

IR

Vibrations