Geometry & MOs

Info

ID:	311967
PubChem CID:	126599974
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	394.157581
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	2.87
IP(EA), eV:	-8.43(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[(1S,3R)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]pyridazin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@H](N(C1)C2=CC=C(C=C2)Cl)CON

DOS

IR

Vibrations