Geometry & MOs

Info

ID:	339908
PubChem CID:	127261917
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	3.03
IP(EA), eV:	-8.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-(2-fluoroanilino)acetyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations