Geometry & MOs

Info

ID:	243936
PubChem CID:	99302915
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	442.258006
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	2.87
IP(EA), eV:	-8.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)/C=C/C2=C(N=C3N2C=C(S3)C)C

DOS

IR

Vibrations