Geometry & MOs

Info

ID:	233232
PubChem CID:	89449387
Reduced:	IN2O7C22H37 (1)
Stoich.:	AB2C7D22E37 (1)
Weight, g/mol:	483.180347
ΔH_f, kcal/mol:	-243.09
Dipole, Da:	3.16
IP(EA), eV:	-8.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCOCCN(CCOC2=C(C=CC(=C2)CO)OCCN1)CCOCCOCI

DOS

IR

Vibrations