Geometry & MOs

Info

ID:	168525
PubChem CID:	74982743
Reduced:	ClSO3N6C27H27 (1)
Stoich.:	ABC3D6E27F27 (1)
Weight, g/mol:	534.184938
ΔH_f, kcal/mol:	2.58
Dipole, Da:	3.95
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC=CC=C4Cl

DOS

IR

Vibrations