Geometry & MOs

Info

ID:	309839
PubChem CID:	126561873
Reduced:	FSN5O6C24H32 (1)
Stoich.:	ABC5D6E24F32 (1)
Weight, g/mol:	414.05388
ΔH_f, kcal/mol:	-234.76
Dipole, Da:	6.01
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-4-[[1-(5-bromopyrimidin-2-yl)azetidin-3-ylidene]amino]oxybutyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCON=C1CCN(CC1)C2=NC=C(C=N2)C3=CC=CC(=C3F)CO)S(=O)(=O)C

DOS

IR

Vibrations