Geometry & MOs

Info

ID:	448865
PubChem CID:	135294149
Reduced:	FO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	457.165425
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	2.55
IP(EA), eV:	-8.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-[[3-(dimethylamino)-6-methylidenexanthen-9-yl]-methoxyphosphoryl]oxybutanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C=O)/C(=C/C=C(/C(=O)NC2CCCCC2)\N)/N

DOS

IR

Vibrations