Geometry & MOs

Info

ID:	393275
PubChem CID:	135019921
Reduced:	BrO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	497.19035
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	2.43
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-methylphenyl)sulfonyloxy-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations