Geometry & MOs

Info

ID:	427250
PubChem CID:	135156420
Reduced:	FON3C24H32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	374.121275
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	4.58
IP(EA), eV:	-8.53(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCC(CC1)CC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)N

DOS

IR

Vibrations