Geometry & MOs

Info

ID:	218777
PubChem CID:	85089955
Reduced:	SP3N4C10O12H15 (1)
Stoich.:	AB3C4D10E12F15 (1)
Weight, g/mol:	522.00598
ΔH_f, kcal/mol:	-631.48
Dipole, Da:	2.66
IP(EA), eV:	-9.31(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3-[(7-methoxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)diselanyl]-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1C(C(SC1N2C=NC3=NC=NC(=O)C32)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations