Geometry & MOs

Info

ID:	406970
PubChem CID:	135079030
Reduced:	NSiO8C30H47 (1)
Stoich.:	ABC8D30E47 (1)
Weight, g/mol:	506.112327
ΔH_f, kcal/mol:	-407.64
Dipole, Da:	3.83
IP(EA), eV:	-9.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl-[(Z)-4-methoxy-2-pyridin-3-ylbut-2-enoyl]amino]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](OC(=O)C1)[C@H]2[C@@H](C[C@@](O2)([C@H](C)C[C@H](C)CNC(=O)OCC[Si](C)(C)C)OC)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations