Geometry & MOs

Info

ID:	159094
PubChem CID:	57260147
Reduced:	S3N4O6C26H36 (1)
Stoich.:	A3B4C6D26E36 (1)
Weight, g/mol:	644.522719
ΔH_f, kcal/mol:	-219.9
Dipole, Da:	9.36
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4,4-diethoxytridecyl) propanedioate

Drug info:

PubChemData

Smile

C[C@H](CS(=O)(=O)C)C(=O)NC(CC1=CC=CC=C1)[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N)O

DOS

IR

Vibrations