Geometry & MOs

Info

ID:	183531
PubChem CID:	77033987
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	5.83
IP(EA), eV:	-8.24(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-methylfuran-2-yl)prop-2-enoyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCN1CCC(=NO)C2=CC=CC=C21

DOS

IR

Vibrations