Geometry & MOs

Info

ID:

340054

PubChem CID:

127262063

Reduced:

O5N7C24H29 (1)

Stoich.:

A5B7C24D29 (1)

Weight, g/mol:

518.296516

ΔHf, kcal/mol:

-67.54

Dipole, Da:

10.12

IP(EA), eV:

 -9.33(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(N-[(2S)-2-[[(2R)-2-amino-3-cyclohexylpropanoyl]amino]propanoyl]-4-nitroanilino)-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CC=C2)C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations