Geometry & MOs

Info

ID:	441311
PubChem CID:	135234086
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	538.168162
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	1.22
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(1S,3S)-3-[5-[[2-(2-methyl-1H-pyridazin-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-pyridazin-3-ylacetamide

Drug info:

PubChemData

Smile

CN1C(SC(=N1)C2CCCCC2)NC(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations