Geometry & MOs

Info

ID:	395459
PubChem CID:	135025523
Reduced:	NO7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	639.35913
ΔH_f, kcal/mol:	-262.16
Dipole, Da:	1.63
IP(EA), eV:	-10.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(2S,6R)-1-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]([C@@]1(C(=O)OC)NC=O)/C=C\C(=O)OC

DOS

IR

Vibrations