Geometry & MOs

Info

ID:	336524
PubChem CID:	127255531
Reduced:	ClON2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	446.281444
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	3.26
IP(EA), eV:	-9.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexylcyclohexanamine;(3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)[C@@H](C(=O)N)N.Cl

DOS

IR

Vibrations