Geometry & MOs

Info

ID:	339938
PubChem CID:	127261947
Reduced:	O2F3N4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	286.200491
ΔH_f, kcal/mol:	-210.16
Dipole, Da:	9.38
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-acetamidopropanoyl]-ethylamino]-6-aminohexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations