Geometry & MOs

Info

ID:	186888
PubChem CID:	77501224
Reduced:	ClNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	354.104956
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	2.24
IP(EA), eV:	-9.82(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8a-(2-fluorophenyl)-7-(methoxymethyl)-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1C(CCC2C1C(=O)CC(N2)C(=O)OC)Cl

DOS

IR

Vibrations