Geometry & MOs

Info

ID:	425495
PubChem CID:	135126547
Reduced:	BrO2F4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	552.12431
ΔH_f, kcal/mol:	-235.99
Dipole, Da:	4.92
IP(EA), eV:	-10.16(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aS,5S,7aS)-7a-[5-[(Z)-2-(5-cyanopyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-5-(difluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C=CC(C(F)(F)F)OCC(=O)C1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations