Geometry & MOs

Info

ID:	123089
PubChem CID:	50832384
Reduced:	ClS2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	415.113667
ΔH_f, kcal/mol:	-62.52
Dipole, Da:	4.54
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)SC(=N3)NC(=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations