Geometry & MOs

Info

ID:

340067

PubChem CID:

127262076

Reduced:

O6N8C35H46 (1)

Stoich.:

A6B8C35D46 (1)

Weight, g/mol:

677.397293

ΔHf, kcal/mol:

-193.46

Dipole, Da:

4.27

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-6-amino-N-[(2S)-6-amino-1-(N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-nitroanilino)-1-oxohexan-2-yl]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N(C3=CC=CC=C3)[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations