Geometry & MOs

Info

ID:	396968
PubChem CID:	135029523
Reduced:	NO5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	426.078021
ΔH_f, kcal/mol:	-257.13
Dipole, Da:	1.33
IP(EA), eV:	-8.65(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[3-methoxy-5-(trifluoromethylsulfonyloxy)-4-trimethylsilylphenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1(C2=CC=CC=C2N(C13CCCC3)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations