Geometry & MOs

Info

ID:	339940
PubChem CID:	127261949
Reduced:	O3N4C16H32 (1)
Stoich.:	A3B4C16D32 (1)
Weight, g/mol:	450.299476
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	4.07
IP(EA), eV:	-9.34(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@@H](CCCCN)C(=O)N)C(=O)[C@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations