Geometry & MOs

Info

ID:	155826
PubChem CID:	56367709
Reduced:	S2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	456.248504
ΔH_f, kcal/mol:	-2.93
Dipole, Da:	2.2
IP(EA), eV:	-8.38(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC4=C(C=C3SC5=CC=CC=C5)OCCO4)C

DOS

IR

Vibrations