Geometry & MOs

Info

ID:	381279
PubChem CID:	134971964
Reduced:	BrO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	570.30169
ΔH_f, kcal/mol:	45.48
Dipole, Da:	4.26
IP(EA), eV:	-10.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxy-6-trimethylsilyloxycyclohexan-1-one

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=C(C=NC=C1)Br)/N=[N+]=[N-]

DOS

IR

Vibrations