Geometry & MOs

Info

ID:	190331
PubChem CID:	77986709
Reduced:	ClN2O2C7H9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	456.345499
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	3.14
IP(EA), eV:	-10.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[tert-butyl(dimethyl)silyl]oxy-3-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3a-methyl-1,2,3,4,5,6,7,7a-octahydroinden-4-ol

Drug info:

PubChemData

Smile

C1CC1N2C(=O)CC(NC2=O)Cl

DOS

IR

Vibrations