Geometry & MOs

Info

ID:	320258
PubChem CID:	126659054
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	443.156441
ΔH_f, kcal/mol:	32.34
Dipole, Da:	6.1
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(5R)-2-methylidene-5-[(1E,4S)-7,8,8-trifluoro-4-methylocta-1,7-dienyl]cyclopentyl]ethylsulfanyl]-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CC[C@@H]([C@H](C1)NC2=NC=NC3=C2C=CC=C3C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations