Geometry & MOs

Info

ID:	224743
PubChem CID:	85349167
Reduced:	S2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-5.8
Dipole, Da:	2.23
IP(EA), eV:	-8.39(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylidene-7-oxabicyclo[4.1.0]heptan-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC1(SCCCS1)C=C(C)C=C

DOS

IR

Vibrations