Geometry & MOs

Info

ID:	391171
PubChem CID:	135003339
Reduced:	BrN2O6C29H33 (1)
Stoich.:	AB2C6D29E33 (1)
Weight, g/mol:	356.201901
ΔH_f, kcal/mol:	-223.89
Dipole, Da:	4.83
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,3R,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[4.2.0]octane-3,7-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Br)C(=O)OC(C)(C)C)N)C3=CC=C(C=C3)C)C(=O)OCC

DOS

IR

Vibrations