Geometry & MOs

Info

ID:	296912
PubChem CID:	117600507
Reduced:	BrN2O2F3H6C11 (1)
Stoich.:	AB2C2D3E6F11 (1)
Weight, g/mol:	369.09396
ΔH_f, kcal/mol:	-150.99
Dipole, Da:	3.53
IP(EA), eV:	-10.38(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2R)-1-(4-bromophenyl)hexan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(=O)C2=CC(=CC(=C2)Br)C(F)(F)F

DOS

IR

Vibrations