Geometry & MOs

Info

ID:	339923
PubChem CID:	127261932
Reduced:	N4O4C25H50 (1)
Stoich.:	A4B4C25D50 (1)
Weight, g/mol:	416.197904
ΔH_f, kcal/mol:	-273.2
Dipole, Da:	5.4
IP(EA), eV:	-9.31(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN([C@@H](CCCCN)C(=O)N)C(=O)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations