Geometry & MOs

Info

ID:	61424
PubChem CID:	26709153
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	495.113188
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	6.68
IP(EA), eV:	-9.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations