Geometry & MOs

Info

ID:	63183
PubChem CID:	26746621
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	463.174336
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	5.15
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-ethoxyphenyl)-5-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations