Geometry & MOs

Info

ID:	380918
PubChem CID:	134971517
Reduced:	ClBr2Si2N5O10C53H78 (1)
Stoich.:	AB2C2D5E10F53G78 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-503.82
Dipole, Da:	6.32
IP(EA), eV:	-8.36(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3,6,7-trimethyloct-2-enoate

Drug info:

Smile

CCOC(=O)[C@H]([C@H](C1=C(C(=C(C=C1)O)Cl)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)NC(=O)[C@H](CC(=O)[C@@H](C2=CC(=C(C(=C2)Br)N=NN3CCCC3)Br)NC(=O)OC(C)(C)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations