Geometry & MOs

Info

ID:	339914
PubChem CID:	127261923
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	4.36
IP(EA), eV:	-9.14(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-(3-methoxyanilino)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)F

DOS

IR

Vibrations