Geometry & MOs

Info

ID:	312536
PubChem CID:	126606325
Reduced:	OSN2C5H12 (1)
Stoich.:	ABC2D5E12 (1)
Weight, g/mol:	392.162374
ΔH_f, kcal/mol:	-15.77
Dipole, Da:	3.53
IP(EA), eV:	-8.78(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-(4-pentylphenyl)chromen-7-yl]oxymethyl prop-2-enoate

Drug info:

PubChemData

Smile

CN1CCCS(=N)(=O)C1

DOS

IR

Vibrations