Geometry & MOs

Info

ID:	425381
PubChem CID:	135126121
Reduced:	SF2O2N5H21C23 (1)
Stoich.:	AB2C2D5E21F23 (1)
Weight, g/mol:	706.1301
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	2.45
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,5R,7aR)-7a-(5-bromo-2-fluorophenyl)-5-(trityloxymethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N1C[C@H]2CSC(=N[C@]2(C1)C3=C(C=CC(=C3)/C=C(/C4=CN=C(C=N4)OCC#C)\F)F)N

DOS

IR

Vibrations