Geometry & MOs

Info

ID:	229024
PubChem CID:	87566798
Reduced:	PC30H63 (1)
Stoich.:	AB30C63 (1)
Weight, g/mol:	430.118498
ΔH_f, kcal/mol:	-144.19
Dipole, Da:	1.89
IP(EA), eV:	-9.27(2.88)
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-thiazol-2-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CCCCC(CCCC)(CCCC)CCCCCCCCCCCCCCCCCP

DOS

IR

Vibrations