Geometry & MOs

Info

ID:	219688
PubChem CID:	85164505
Reduced:	SiO3C36H48 (1)
Stoich.:	AB3C36D48 (1)
Weight, g/mol:	556.101536
ΔH_f, kcal/mol:	-166.0
Dipole, Da:	8.1
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyloxymethyl]phenoxy]carbonylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2C3=CC(=O)OC(C3(CCC2(CC1)C)C)CCCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations