Geometry & MOs

Info

ID:	320376
PubChem CID:	126660038
Reduced:	ClN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	476.22574
ΔH_f, kcal/mol:	-41.05
Dipole, Da:	3.68
IP(EA), eV:	-9.31(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[5-[5-[(3E,5E)-6-(methylamino)nona-1,3,5-trien-4-yl]-1,2,5-thiadiazolidin-2-yl]pentoxy]-1,2-benzoxazol-3-yl] hypofluorite

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)C2=CC=C(O2)/C=C/3\C(=C(C(=O)N(C3=O)C)C=NC)C

DOS

IR

Vibrations