Geometry & MOs

Info

ID:	214858
PubChem CID:	85083751
Reduced:	PSiO2C36H66 (1)
Stoich.:	ABC2D36E66 (1)
Weight, g/mol:	625.231182
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	12.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760606
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl)-2,6-dimethoxyphenyl] benzyl carbonate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(=CC[P+](C1CCCCC1)(C2CCCCC2)C3CCCCC3)OC(C=C)C4CCCCC4

DOS

IR

Vibrations