Geometry & MOs

Info

ID:	137103
PubChem CID:	52152552
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-85.28
Dipole, Da:	2.16
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(2-methylpropanoyl)-5-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)-2-thiophen-2-yl-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations