Geometry & MOs

Info

ID:	339943
PubChem CID:	127261952
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	4.94
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC

DOS

IR

Vibrations