Geometry & MOs

Info

ID:	62644
PubChem CID:	26732603
Reduced:	SN2O3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	3.29
IP(EA), eV:	-9.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3)/C#N

DOS

IR

Vibrations