Geometry & MOs

Info

ID:	339913
PubChem CID:	127261922
Reduced:	ClO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-57.16
Dipole, Da:	6.6
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-(3-fluoroanilino)acetyl]-4-methylanilino)hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations