Geometry & MOs

Info

ID:	426357
PubChem CID:	135143563
Reduced:	ClON3H14C21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	532.10428
ΔH_f, kcal/mol:	96.32
Dipole, Da:	4.25
IP(EA), eV:	-8.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(5-bromo-2-fluorophenyl)-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=C(O2)C(=CC=C3)C4=NC(=NC(=N4)C5=CC=CC=C5)Cl

DOS

IR

Vibrations