Geometry & MOs

Info

ID:

329504

PubChem CID:

126737669

Reduced:

SN2O5H14C16 (1)

Stoich.:

AB2C5D14E16 (1)

Weight, g/mol:

546.19936

ΔHf, kcal/mol:

-132.99

Dipole, Da:

8.32

IP(EA), eV:

 -9.83(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-chloro-3-(2,2-dimethylpropanoylamino)pyridin-2-yl]methyl 2-[hydroxy-(3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-6-yl)methyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC3=C2NC(=O)N(C3=O)O)C

DOS

IR

Vibrations