Geometry & MOs

Info

ID:	420932
PubChem CID:	135115056
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	7.32
IP(EA), eV:	-9.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CSC(=N2)N)O)CC3=CC=CC=N3

DOS

IR

Vibrations