Geometry & MOs

Info

ID:

181580

PubChem CID:

76762914

Reduced:

NO3C9H13 (1)

Stoich.:

AB3C9D13 (1)

Weight, g/mol:

928.31962

ΔHf, kcal/mol:

-35.5

Dipole, Da:

13.83

IP(EA), eV:

 -9.13(-3.34)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[2-[[[5-[2-[2-[[5-[(2-boronophenyl)methyl-methylamino]-2-oxopentyl]-(2-oxidooxyethyl)amino]ethyl-(2-oxidooxyethyl)amino]ethyl-(oxomethoxymethyl)amino]-4-oxopentyl]-methylamino]methyl]phenyl]boronic acid;gadolinium(2+)

Drug info:

PubChemData

Smile

CC1(C=C(C(N1[O])(C)C)C(=O)[O-])C

DOS

IR

Vibrations