Geometry & MOs

Info

ID:	393628
PubChem CID:	135021314
Reduced:	N4O5C27H44 (1)
Stoich.:	A4B5C27D44 (1)
Weight, g/mol:	448.257337
ΔH_f, kcal/mol:	-137.58
Dipole, Da:	11.72
IP(EA), eV:	-7.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-[12-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]dodecylamino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=O)C1=O)NCCCCCCCCCCCCNC2=C(C(=O)C2=O)NCCCN(C)C

DOS

IR

Vibrations