Geometry & MOs

Info

ID:	83653
PubChem CID:	49859645
Reduced:	N2O7C12H24 (1)
Stoich.:	A2B7C12D24 (1)
Weight, g/mol:	439.341007
ΔH_f, kcal/mol:	-322.73
Dipole, Da:	2.83
IP(EA), eV:	-9.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hexanoylamino)-N-[6-oxo-6-(6-oxohexylamino)hexyl]hexanamide

Drug info:

PubChemData

Smile

C(CCNCC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H](C(=O)O)N

DOS

IR

Vibrations