Geometry & MOs

Info

ID:	425400
PubChem CID:	135126196
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	373.9736
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	1.54
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,7aR)-7a-(5-bromo-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)N

DOS

IR

Vibrations