Geometry & MOs

Info

ID:	68876
PubChem CID:	46510875
Reduced:	ClSO3N5C19H24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	425.158685
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	5.21
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)CCC(=O)N)Cl

DOS

IR

Vibrations