Geometry & MOs

Info

ID:	221223
PubChem CID:	85261557
Reduced:	BrPN2O5C24H34 (1)
Stoich.:	ABC2D5E24F34 (1)
Weight, g/mol:	540.20906
ΔH_f, kcal/mol:	-279.05
Dipole, Da:	6.8
IP(EA), eV:	-9.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]methyl]-3,5-dimethyl-1-(trimethylsilylmethyl)cyclohex-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CP(=O)(C(CC2=CC=CC=C2)[NH3+])O.[Br-]

DOS

IR

Vibrations