Geometry & MOs

Info

ID:	219687
PubChem CID:	85164504
Reduced:	SN2O5C31H44 (1)
Stoich.:	AB2C5D31E44 (1)
Weight, g/mol:	556.337272
ΔH_f, kcal/mol:	-217.94
Dipole, Da:	9.32
IP(EA), eV:	-8.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-4a,6a-dimethyl-9-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclopenta[f]isochromen-2-one

Drug info:

PubChemData

Smile

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)C)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

DOS

IR

Vibrations