Geometry & MOs

Info

ID:	68155
PubChem CID:	46507851
Reduced:	FSN2O5H21C24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	481.159076
ΔH_f, kcal/mol:	-153.95
Dipole, Da:	7.39
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)methyl 1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=O)CN2CC(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC=CC=C4F

DOS

IR

Vibrations