Geometry & MOs

Info

ID:

430341

PubChem CID:

135170405

Reduced:

N6O10C17H22 (1)

Stoich.:

A6B10C17D22 (1)

Weight, g/mol:

1076.388719

ΔHf, kcal/mol:

-367.89

Dipole, Da:

8.51

IP(EA), eV:

 -10.48(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-carboxy-2-[4-[[7-[4-[2-carboxy-2-(1,3-dicarboxypropylcarbamoylamino)ethyl]anilino]-4-[[4-[4-(3-fluoropropyl)triazol-1-yl]benzoyl]amino]-7-oxoheptanoyl]amino]phenyl]ethyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N(C1=O)C(CCC(=O)O)C(=O)O)C(CCCCNC(=O)CN=[N+]=[N-])C(=O)O

DOS

IR

Vibrations