Geometry & MOs

Info

ID:	61546
PubChem CID:	26710380
Reduced:	N2O2F4C17H18 (1)
Stoich.:	A2B2C4D17E18 (1)
Weight, g/mol:	438.04129
ΔH_f, kcal/mol:	-264.87
Dipole, Da:	9.76
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2R)-1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)/C=C/C(=O)C(F)(F)F)F

DOS

IR

Vibrations