Geometry & MOs

Info

ID:	226900
PubChem CID:	87558857
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	583.147665
ΔH_f, kcal/mol:	-136.43
Dipole, Da:	5.1
IP(EA), eV:	-9.52(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(3R)-spiro[1,2-dihydroindene-3,5'-4H-1,2-oxazole]-3'-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H]([C@@H](C(=O)O)N(C)C/C=C/C)O

DOS

IR

Vibrations