Geometry & MOs

Info

ID:

226983

PubChem CID:

87559397

Reduced:

SiC52H52 (1)

Stoich.:

AB52C52 (1)

Weight, g/mol:

1013.732486

ΔHf, kcal/mol:

98.41

Dipole, Da:

1.0

IP(EA), eV:

 -8.37(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;1,4,7,10-tetrazacyclododecane

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C(C3)C4=CC=CC=C4)[Si](C)(C)C5=C(CC6=C5C(=CC=C6)C7=CC=C(C=C7)CCCC)C8=CC=CC=C8

DOS

IR

Vibrations