Geometry & MOs

Info

ID:	140698
PubChem CID:	52741613
Reduced:	ClN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	455.253255
ΔH_f, kcal/mol:	-141.57
Dipole, Da:	3.45
IP(EA), eV:	-8.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations