Geometry & MOs

Info

ID:	284818
PubChem CID:	104072313
Reduced:	NOSC5H5 (2)
Stoich.:	ABCD5E5 (2)
Weight, g/mol:	290.06128
ΔH_f, kcal/mol:	6.33
Dipole, Da:	2.43
IP(EA), eV:	-9.32(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations