Geometry & MOs

Info

ID:	230030
PubChem CID:	87569896
Reduced:	ClS2O3N6C25H37 (1)
Stoich.:	AB2C3D6E25F37 (1)
Weight, g/mol:	328.26136
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	8.87
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-O-(2-ethylbutyl) 1-O-methyl dodecanedioate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=NC)NS(=O)(=O)C)C)Cl

DOS

IR

Vibrations