Geometry & MOs

Info

ID:	398517
PubChem CID:	135033644
Reduced:	NO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	405.077712
ΔH_f, kcal/mol:	-215.21
Dipole, Da:	3.52
IP(EA), eV:	-9.87(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-(4-chlorophenyl)-2-[(cyclohexylamino)-methylsulfanylmethylidene]-4,4,4-trifluorobutane-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC(=O)C(=CC[C@@H]2C(=O)C1)CCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations