Geometry & MOs

Info

ID:	311968
PubChem CID:	126600007
Reduced:	OSN6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	435.18413
ΔH_f, kcal/mol:	68.89
Dipole, Da:	8.12
IP(EA), eV:	-9.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1CC2=NN=C(C=C2)NC(=O)CC3=CC=CC=C3)C4=NN=C(S4)N

DOS

IR

Vibrations