Geometry & MOs

Info

ID:	46622
PubChem CID:	10525682
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	412.09307
ΔH_f, kcal/mol:	-158.67
Dipole, Da:	4.8
IP(EA), eV:	-9.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-7-iodohept-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](COCC1=CC=CC=C1)O)C(=O)[C@@H](C)[C@H](C=C)OC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations