Geometry & MOs

Info

ID:

430339

PubChem CID:

135170403

Reduced:

N3O10C32H51 (1)

Stoich.:

A3B10C32D51 (1)

Weight, g/mol:

866.30424

ΔHf, kcal/mol:

-480.48

Dipole, Da:

4.9

IP(EA), eV:

 -9.46(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[[3-[(2-azidoacetyl)amino]-5-[[5-carboxy-5-(1,3-dicarboxypropylcarbamoylamino)pentyl]carbamoyl]benzoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N([C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations