Geometry & MOs

Info

ID:	243939
PubChem CID:	99302927
Reduced:	N4O4C23H32 (1)
Stoich.:	A4B4C23D32 (1)
Weight, g/mol:	393.226371
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	6.21
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2R)-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)CCC2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations