Geometry & MOs

Info

ID:	402075
PubChem CID:	135054180
Reduced:	NSO4H23C25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	296.180771
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	5.36
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohepta-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2C(=O)[C@@H]3[C@]2(C[C@H](C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations