Geometry & MOs

Info

ID:	132341
PubChem CID:	51346018
Reduced:	SO2H14C15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	3.6
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(furan-2-yl)azepan-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CSC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations