Geometry & MOs

Info

ID:

437656

PubChem CID:

135226763

Reduced:

PO2C34H46 (2)

Stoich.:

AB2C34D46 (2)

Weight, g/mol:

343.146681

ΔHf, kcal/mol:

-244.6

Dipole, Da:

2.33

IP(EA), eV:

 -8.49(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC(=CC=C3)P(OC4=C(C=C(C=C4)CCCC)CCCC)OC5=C(C=C(C=C5)CCCC)CCCC)OC6=C(C=C(C=C6)CCCC)CCCC)CCCC

DOS

IR

Vibrations