Geometry & MOs

Info

ID:	339926
PubChem CID:	127261935
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	4.9
IP(EA), eV:	-9.25(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(4-methyl-N-[2-[(2-methylphenyl)methylamino]acetyl]anilino)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CNCC2=CC=CC=C2OC

DOS

IR

Vibrations