Geometry & MOs

Info

ID:	58112
PubChem CID:	24424167
Reduced:	SN2O3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	344.076155
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	4.51
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-chloro-4-fluorophenyl)carbamothioyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC

DOS

IR

Vibrations