Geometry & MOs

Info

ID:	415540
PubChem CID:	135088536
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	3.97
Dipole, Da:	3.55
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C)Cl

DOS

IR

Vibrations