Geometry & MOs

Info

ID:	243940
PubChem CID:	99302928
Reduced:	N3O5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	393.226371
ΔH_f, kcal/mol:	-200.37
Dipole, Da:	2.59
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CN(CCC(=O)OCC)C(=O)CN(C)C(=O)C2=CC=CO2

DOS

IR

Vibrations