Geometry & MOs

Info

ID:	218914
PubChem CID:	85090153
Reduced:	SN4O5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	526.23868
ΔH_f, kcal/mol:	-158.18
Dipole, Da:	4.44
IP(EA), eV:	-9.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[tert-butyl(dimethyl)silyl]oxy-4-methoxycarbonyl-6-(phenylmethoxymethoxy)cyclohex-2-en-1-yl] benzoate

Drug info:

PubChemData

Smile

C=CS(=O)(=O)NC(=O)C(CCC1=CC=CC=C1)NC(CC2=CC=CC=C2)C(=O)NC(=O)N3CCCCC3

DOS

IR

Vibrations