Geometry & MOs

Info

ID:	36537
PubChem CID:	8008100
Reduced:	FSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	375.04815
ΔH_f, kcal/mol:	-179.47
Dipole, Da:	6.72
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SC)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations