Geometry & MOs

Info

ID:	229490
PubChem CID:	87567836
Reduced:	N5F6H13C16 (1)
Stoich.:	A5B6C13D16 (1)
Weight, g/mol:	414.141342
ΔH_f, kcal/mol:	-235.04
Dipole, Da:	3.29
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(1,3-oxazol-4-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CN1C(C2=C(N=C(C=C2)C3=C(C=CC=C3C(F)(F)F)C(F)(F)F)N=C1N)N

DOS

IR

Vibrations