Geometry & MOs

Info

ID:	307631
PubChem CID:	125307843
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	497.252586
ΔH_f, kcal/mol:	-97.95
Dipole, Da:	1.52
IP(EA), eV:	-9.22(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[(E)-[(2R)-1-[2-(diethylamino)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-2,4-dimethyl-2H-pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)[C@@H](C)C(=O)OC

DOS

IR

Vibrations