Geometry & MOs

Info

ID:	228724
PubChem CID:	87565621
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	430.118498
ΔH_f, kcal/mol:	-5.75
Dipole, Da:	4.52
IP(EA), eV:	-8.84(-0.19)
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-5-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NC=CN2C

DOS

IR

Vibrations