Geometry & MOs

Info

ID:	26605
PubChem CID:	793456
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	75.74
Dipole, Da:	7.74
IP(EA), eV:	-9.21(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl (2R)-2-aminopentanedioate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C#N)N=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations