Geometry & MOs

Info

ID:

190715

PubChem CID:

78046509

Reduced:

SiN3O7C40H53 (1)

Stoich.:

AB3C7D40E53 (1)

Weight, g/mol:

553.188088

ΔHf, kcal/mol:

-225.13

Dipole, Da:

4.19

IP(EA), eV:

 -8.77(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-carboxy-5-[[2-[4-[(2-nitroimidazol-1-yl)methyl]triazol-1-yl]acetyl]amino]pentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCOC1=CN=C(C2=C1C(=C3C(C2)CC4C(C5=C(C(=O)C4(C3=O)O[Si](C)(C)C(C)(C)C)C(=NO5)OCCCC)N(C)C)O)C6=CC=CC=C6

DOS

IR

Vibrations