Geometry & MOs

Info

ID:

340122

PubChem CID:

127262131

Reduced:

N6O7C25H30 (1)

Stoich.:

A6B7C25D30 (1)

Weight, g/mol:

611.270361

ΔHf, kcal/mol:

-179.76

Dipole, Da:

4.9

IP(EA), eV:

 -9.89(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-1-[[(2S)-5-[[amino(nitramido)methylidene]amino]-1-methoxy-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CCCNC(=O)N)C(=O)N

DOS

IR

Vibrations