Geometry & MOs

Info

ID:	134789
PubChem CID:	51755580
Reduced:	NOC15H24 (2)
Stoich.:	ABC15D24 (2)
Weight, g/mol:	462.301306
ΔH_f, kcal/mol:	-132.68
Dipole, Da:	5.07
IP(EA), eV:	-9.14(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-3-cyclohexyl-N-hexylpropanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)C)C(=O)NC(C)(C)C)C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C

DOS

IR

Vibrations