Geometry & MOs

Info

ID:

183049

PubChem CID:

76971163

Reduced:

NO2C21H41 (2)

Stoich.:

AB2C21D41 (2)

Weight, g/mol:

461.128838

ΔHf, kcal/mol:

-327.59

Dipole, Da:

4.46

IP(EA), eV:

 -9.51(0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@H](O)C.CCCCCCCC/C=C\CCCCCCCC(=O)NC[C@@H](O)C

DOS

IR

Vibrations