Geometry & MOs

Info

ID:	168522
PubChem CID:	74982716
Reduced:	OSN3C12H12 (2)
Stoich.:	ABC3D12E12 (2)
Weight, g/mol:	566.221243
ΔH_f, kcal/mol:	59.29
Dipole, Da:	9.29
IP(EA), eV:	-9.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-N-[5-[4-[6-[[2-[3-(pyrazol-1-ylmethyl)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC=CS4

DOS

IR

Vibrations