Geometry & MOs

Info

ID:	312779
PubChem CID:	126608606
Reduced:	ClO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	541.202007
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	3.68
IP(EA), eV:	-8.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[2-[2-[2-[(4Z)-4-amino-4-(2,5-dioxopyrrolidin-1-yl)iminobutanimidoyl]oxyethoxy]ethoxy]ethyl] 4-O-(2,5-dioxopyrrolidin-1-yl) butanedioate

Drug info:

PubChemData

Smile

CCOC(C1=NC(=C(C=C1)N2C=C(N=C2)C)OC)NCl

DOS

IR

Vibrations