Geometry & MOs

Info

ID:	392664
PubChem CID:	135017555
Reduced:	SO2C9H14 (3)
Stoich.:	AB2C9D14 (3)
Weight, g/mol:	306.089209
ΔH_f, kcal/mol:	-295.83
Dipole, Da:	1.47
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-(2-oxochromen-3-yl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1CSCCC(=O)OC)CC)CSCCC(=O)OC)CC)CSCCC(=O)OC

DOS

IR

Vibrations