Geometry & MOs

Info

ID:	236886
PubChem CID:	92715428
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	403.108959
ΔH_f, kcal/mol:	21.44
Dipole, Da:	6.8
IP(EA), eV:	-8.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCCN2C(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations