Geometry & MOs

Info

ID:

47392

PubChem CID:

10532228

Reduced:

O6N9C31H51 (1)

Stoich.:

A6B9C31D51 (1)

Weight, g/mol:

649.391145

ΔHf, kcal/mol:

-274.69

Dipole, Da:

3.7

IP(EA), eV:

 -9.36(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(2S)-2-[[(2R)-1-[[(2S)-1-hydrazinyl-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)[C@H](CO)N

DOS

IR

Vibrations