Geometry & MOs

Info

ID:	427231
PubChem CID:	135156286
Reduced:	ClSN4O4H15C17 (1)
Stoich.:	ABC4D4E15F17 (1)
Weight, g/mol:	418.14749
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	7.13
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-8-(6-tert-butyl-5-fluoropyridin-3-yl)-3-(methoxymethoxymethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NC2=CC3=C(N=C2)OCCN4C3=NC=C4

DOS

IR

Vibrations