Geometry & MOs

Info

ID:	44189
PubChem CID:	10501848
Reduced:	SSiN2O3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	412.228115
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	7.35
IP(EA), eV:	-7.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4aS,5S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2,2-dimethyl-4-oxo-3,5,8,8a-tetrahydrochromene-4a-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=CC(=C32)OC)N)C#C[Si](C)(C)C

DOS

IR

Vibrations