Geometry & MOs

Info

ID:	339931
PubChem CID:	127261940
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	416.197904
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	6.21
IP(EA), eV:	-8.91(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[2-[(4-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(=C2)C

DOS

IR

Vibrations