Geometry & MOs

Info

ID:	11358
PubChem CID:	114499
Reduced:	N2O6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	510.272987
ΔH_f, kcal/mol:	-164.33
Dipole, Da:	5.71
IP(EA), eV:	-8.48(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[4-[2-[2-(aziridin-1-yl)propanoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-(aziridin-1-yl)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C(C)N3CC3)N4CC4

DOS

IR

Vibrations