Geometry & MOs

Info

ID:	390837
PubChem CID:	135001187
Reduced:	BrFNO6C13H13 (1)
Stoich.:	ABCD6E13F13 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-195.89
Dipole, Da:	4.32
IP(EA), eV:	-9.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(2-benzamido-2-oxoethyl)-2-cyano-5-methyl-2-phenylhexanoate

Drug info:

PubChemData

Smile

COC(=O)C([C@@H](C[N+](=O)[O-])C1=CC(=CC=C1)Br)(C(=O)OC)F

DOS

IR

Vibrations