Geometry & MOs

Info

ID:	406834
PubChem CID:	135078739
Reduced:	SiN3O4C39H43 (1)
Stoich.:	AB3C4D39E43 (1)
Weight, g/mol:	396.149222
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	2.1
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-[(E)-3-phenylprop-2-enoxy]phenyl]but-3-yn-2-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=NC2=CC=CC=C2C(=O)N1N(C(=O)C3=CC=CC=C3)C(=O)C(C)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations