Geometry & MOs

Info

ID:	425377
PubChem CID:	135126105
Reduced:	ClOSF2N3H16C19 (1)
Stoich.:	ABCD2E3F16G19 (1)
Weight, g/mol:	466.01622
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	2.11
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CSC(=N[C@@]2(CO1)C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)Cl)\F)F)N

DOS

IR

Vibrations