Geometry & MOs

Info

ID:	339909
PubChem CID:	127261918
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	3.0
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-(2-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=C2F

DOS

IR

Vibrations