Geometry & MOs

Info

ID:	339927
PubChem CID:	127261936
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	416.197904
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	4.68
IP(EA), eV:	-9.04(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNCC2=CC=CC=C2C

DOS

IR

Vibrations