Geometry & MOs

Info

ID:

61256

PubChem CID:

26707479

Reduced:

ClFSO3N4C23H31 (1)

Stoich.:

ABCD3E4F23G31 (1)

Weight, g/mol:

410.114568

ΔHf, kcal/mol:

-115.78

Dipole, Da:

7.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752330

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)NC(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations