Geometry & MOs

Info

ID:

395863

PubChem CID:

135026750

Reduced:

OSSnF2C36H52 (1)

Stoich.:

ABCD2E36F52 (1)

Weight, g/mol:

438.157102

ΔHf, kcal/mol:

-128.76

Dipole, Da:

2.52

IP(EA), eV:

 -9.1(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(3-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-9,9-dimethyl-4,6,8,10-tetrahydro-[1,2,4,5]tetrazino[6,1-b][1,3]benzoxazin-7-one

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C=CCC[C@H]1C[C@@H](C=C1)CC(C2=CC=CC=C2)(C(F)(F)SC3=CC=CC=C3)O

DOS

IR

Vibrations