Geometry & MOs

Info

ID:	235149
PubChem CID:	92304134
Reduced:	S2N3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	4.35
IP(EA), eV:	-9.31(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)/C=C(/C#N)\C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

DOS

IR

Vibrations