Geometry & MOs

Info

ID:	137105
PubChem CID:	52152554
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	3.22
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-[2-(dimethylamino)ethyl]-5-(4-ethoxy-3-methoxyphenyl)-4-[hydroxy-(2,4,5-trimethyl-1H-pyrrol-3-yl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N([C@H]1C2=CC=CS2)CCN3CCCC3)O

DOS

IR

Vibrations