Geometry & MOs

Info

ID:	381165
PubChem CID:	134971816
Reduced:	SiO12C47H50 (1)
Stoich.:	AB12C47D50 (1)
Weight, g/mol:	281.97524
ΔH_f, kcal/mol:	-430.88
Dipole, Da:	6.74
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-azido-3-(2-bromopyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C[C@](O[C@H]([C@H]1OC(=O)C2=CC=CC=C2)[C@@H]([C@@H](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)(C6=CC=CO6)OC

DOS

IR

Vibrations