Geometry & MOs

Info

ID:	402170
PubChem CID:	135054709
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	612.16953
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	3.12
IP(EA), eV:	-9.15(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z,2R,3R)-2-(4-bromophenyl)-5-[tert-butyl(diphenyl)silyl]oxy-3-methyl-5-phenylpent-4-enoate

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)[C@@H]3CCC[C@@]3(C2=O)C4=CC=CO4

DOS

IR

Vibrations