Geometry & MOs

Info

ID:	84988
PubChem CID:	49871199
Reduced:	SSiO3C31H52 (1)
Stoich.:	ABC3D31E52 (1)
Weight, g/mol:	340.107575
ΔH_f, kcal/mol:	-218.47
Dipole, Da:	4.3
IP(EA), eV:	-8.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-diethoxyphosphoryl-4-ethenyl-7-methoxy-3,4-dihydrochromen-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC(C(=O)O1)(C[C@@H](CCCCCCCCCCC=C)O[Si](C)(C)C(C)(C)C)SC2=CC=CC=C2

DOS

IR

Vibrations