Geometry & MOs

Info

ID:	185887
PubChem CID:	77365697
Reduced:	ClSN4O5C24H37 (1)
Stoich.:	ABC4D5E24F37 (1)
Weight, g/mol:	563.527745
ΔH_f, kcal/mol:	-225.73
Dipole, Da:	2.21
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecylazepan-2-one;octadec-9-enoic acid

Drug info:

PubChemData

Smile

C1CC2C(CCNC2=O)C(C1)S(=O)(=O)NCCN3CCCNC(C3)CC4=CC5=C(C=C4)OCO5.Cl

DOS

IR

Vibrations