Geometry & MOs

Info

ID:	398528
PubChem CID:	135033686
Reduced:	O3H22C26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	519.283857
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	4.29
IP(EA), eV:	-8.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(benzenesulfonyl)-12-methyl-4-tri(propan-2-yl)silyloxy-2-azatricyclo[5.3.3.01,6]tridecan-9-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3=C(C(=CC=C3)OC)C4=C2C(=CC5=CC=CC=C54)OC

DOS

IR

Vibrations