Geometry & MOs

Info

ID:	46351
PubChem CID:	10524002
Reduced:	ClOSN2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	382.04473
ΔH_f, kcal/mol:	24.42
Dipole, Da:	6.1
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,5R)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dihydroxy-3-oxocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)SCCC3=CC(=O)N(N=C32)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations