Geometry & MOs

Info

ID:	59072
PubChem CID:	24770764
Reduced:	ClPN2O3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	448.264501
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	5.11
IP(EA), eV:	-9.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] (E,5S)-5-[(4-methoxyphenyl)methoxy]hex-2-enoate

Drug info:

PubChemData

Smile

CC(C[N+](=O)[O-])(C1=CC=C(C=C1)Cl)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations