Geometry & MOs

Info

ID:	402020
PubChem CID:	135053883
Reduced:	BrClN2O2H26C32 (1)
Stoich.:	ABC2D2E26F32 (1)
Weight, g/mol:	426.222636
ΔH_f, kcal/mol:	43.72
Dipole, Da:	2.16
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylidenehexanoate

Drug info:

PubChemData

Smile

C1[C@H](NC2=C(C=C(C=C2[C@H]1NC(=O)OCC3=CC=CC=C3)Cl)CC#CC4=CC=CC=C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations