Geometry & MOs

Info

ID:	137104
PubChem CID:	52152553
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	16.65
IP(EA), eV:	-7.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N([C@H]1C2=CC=CS2)CC[NH+]3CCCC3)[O-]

DOS

IR

Vibrations