Geometry & MOs

Info

ID:	283709
PubChem CID:	104000675
Reduced:	BrINOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	287.220892
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	3.85
IP(EA), eV:	-9.67(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[butan-2-yl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(CC=C)NC(=O)C1=C(C=CC(=C1)I)Br

DOS

IR

Vibrations