Geometry & MOs

Info

ID:	385579
PubChem CID:	134979463
Reduced:	NO6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	400.19173
ΔH_f, kcal/mol:	-235.81
Dipole, Da:	7.02
IP(EA), eV:	-9.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O'-tert-butyl 2-O-ethyl 1-O-methyl (1R,2S)-4-trimethylsilyloxycyclohex-4-ene-1,1,2-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)O[C@H]1CC(=CC[C@@]1(C(=O)O)NC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations