Geometry & MOs

Info

ID:	229134
PubChem CID:	87567031
Reduced:	ClOF3N3H23C24 (1)
Stoich.:	ABC3D3E23F24 (1)
Weight, g/mol:	480.187149
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	4.69
IP(EA), eV:	-9.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-(1,3-oxazol-2-ylmethylidene)-1-tritylpiperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC=CC=C1)N[C@@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations