Geometry & MOs

Info

ID:

435130

PubChem CID:

135181307

Reduced:

SCl2F4N4O6C30H30 (1)

Stoich.:

AB2C4D4E6F30G30 (1)

Weight, g/mol:

367.146681

ΔHf, kcal/mol:

-357.51

Dipole, Da:

9.13

IP(EA), eV:

 -9.83(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[6-(3,3-dimethylazetidin-1-yl)pyridin-3-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

CC/C=C(\C=C(\C)/CC(=O)NC1CN(C1)S(=O)(=O)NC(=O)OCC2=CC=CC=C2)/C3=NOC(C3)(C4=CC(=C(C(=C4)Cl)F)Cl)C(F)(F)F

DOS

IR

Vibrations